4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine

C15H21NO2S — CID 55115124

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine
SMILESNC1CCC(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C15H21NO2S/c16-13-5-8-14(9-6-13)19(17,18)15-7-4-11-2-1-3-12(11)10-15/h4,7,10,13-14H,1-3,5-6,8-9,16H2
InChIKeyRJUDSUCVDSVFMQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.22
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine

4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine (PubChem CID 55115124) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine
PubChem CID55115124
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine
SMILESNC1CCC(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C15H21NO2S/c16-13-5-8-14(9-6-13)19(17,18)15-7-4-11-2-1-3-12(11)10-15/h4,7,10,13-14H,1-3,5-6,8-9,16H2
InChIKeyRJUDSUCVDSVFMQ-UHFFFAOYSA-N
XLogP2.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one
CID 64642187
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine
CID 64904903
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine
CID 79862911
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
N-(2-aminocyclopentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 63251986
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 103576458
5,6,7,8-tetrahydronaphthalene-2-sulfonyl fluoride
CID 82284501
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)cyclopentan-1-amine
CID 64723256

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine (CID 55115124) is 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine is NC1CCC(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine?
The InChIKey is RJUDSUCVDSVFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c16-13-5-8-14(9-6-13)19(17,18)15-7-4-11-2-1-3-12(11)10-15/h4,7,10,13-14H,1-3,5-6,8-9,16H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine?
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine is sourced from PubChem (CID 55115124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).