(1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine

C21H25NO2S — CID 163485657

IUPAC(1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine
SMILESC=S(C)(=O)c1ccc(O[C@@H]2c3ccccc3C[C@H]2NCC2CC2)cc1
InChIInChI=1S/C21H25NO2S/c1-25(2,23)18-11-9-17(10-12-18)24-21-19-6-4-3-5-16(19)13-20(21)22-14-15-7-8-15/h3-6,9-12,15,20-22H,1,7-8,13-14H2,2H3/t20-,21-,25?/m1/s1
InChIKeyCIHTYASCVXRZKQ-NFQZSHQESA-N
MW355.50 g/mol
LogP3.44
Rot. Bonds6

About (1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine

(1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine (PubChem CID 163485657) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is (1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name(1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine
PubChem CID163485657
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC Name(1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine
SMILESC=S(C)(=O)c1ccc(O[C@@H]2c3ccccc3C[C@H]2NCC2CC2)cc1
InChIInChI=1S/C21H25NO2S/c1-25(2,23)18-11-9-17(10-12-18)24-21-19-6-4-3-5-16(19)13-20(21)22-14-15-7-8-15/h3-6,9-12,15,20-22H,1,7-8,13-14H2,2H3/t20-,21-,25?/m1/s1
InChIKeyCIHTYASCVXRZKQ-NFQZSHQESA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 18661299
N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine
CID 19075628
(3R)-1-[(1R,2S)-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]-N-(3,3,3-trifluoropropyl)piperidin-3-amine
CID 67310925
(1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 139710561
1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 70068488
2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol
CID 76775232
(4-fluorophenyl)-[4-[[(1R,2S)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanone;hydrochloride
CID 70069436
tert-butyl N-[(1S,2R)-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 67647320
1-[4-[[(1S,2S)-2-(4-ethylcyclohexyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]ethanone
CID 143950742
4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide
CID 58393443
N-methyl-1-(3-phenylphenoxy)-2,3-dihydro-1H-inden-2-amine
CID 19075653
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of (1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine (CID 163485657) is (1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for (1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for (1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine is C=S(C)(=O)c1ccc(O[C@@H]2c3ccccc3C[C@H]2NCC2CC2)cc1.
What is the InChIKey of (1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is CIHTYASCVXRZKQ-NFQZSHQESA-N. The full InChI is InChI=1S/C21H25NO2S/c1-25(2,23)18-11-9-17(10-12-18)24-21-19-6-4-3-5-16(19)13-20(21)22-14-15-7-8-15/h3-6,9-12,15,20-22H,1,7-8,13-14H2,2H3/t20-,21-,25?/m1/s1.
What are the key properties of (1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine?
(1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 355.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 163485657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).