N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide

C15H20N2OS — CID 106892918

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(CN(C)C(=O)C1Cc2ccccc2C1)C(N)=S
InChIInChI=1S/C15H20N2OS/c1-10(14(16)19)9-17(2)15(18)13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13H,7-9H2,1-2H3,(H2,16,19)
InChIKeyJHOXOEPOMQKVEO-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.78
Rot. Bonds4

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106892918) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106892918
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(CN(C)C(=O)C1Cc2ccccc2C1)C(N)=S
InChIInChI=1S/C15H20N2OS/c1-10(14(16)19)9-17(2)15(18)13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13H,7-9H2,1-2H3,(H2,16,19)
InChIKeyJHOXOEPOMQKVEO-UHFFFAOYSA-N
XLogP1.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892916
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703822
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214197
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 77002300
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126715
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908
N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703954
methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate
CID 106703120
methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate
CID 94250151
3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
CID 79222195
ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate
CID 106703666
2-[2-[[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]methyl]phenyl]acetic acid
CID 115462363

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide (CID 106892918) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide is CC(CN(C)C(=O)C1Cc2ccccc2C1)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is JHOXOEPOMQKVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(14(16)19)9-17(2)15(18)13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13H,7-9H2,1-2H3,(H2,16,19).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106892918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).