N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide

C21H34N2O2S — CID 71040348

IUPACN-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide
SMILESCCCC(C)S(=O)NC1CCC(C(=O)NC2=CC=C3CCCC3C2)CC1
InChIInChI=1S/C21H34N2O2S/c1-3-5-15(2)26(25)23-19-11-9-17(10-12-19)21(24)22-20-13-8-16-6-4-7-18(16)14-20/h8,13,15,17-19,23H,3-7,9-12,14H2,1-2H3,(H,22,24)
InChIKeyBGZOUYWJYHIEDU-UHFFFAOYSA-N
MW378.58 g/mol
LogP4.12
Rot. Bonds7

About N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide

N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide (PubChem CID 71040348) has the molecular formula C21H34N2O2S and a molecular weight of 378.58 g/mol. Its IUPAC name is N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide
PubChem CID71040348
Molecular FormulaC21H34N2O2S
Molecular Weight378.58 g/mol
Exact Mass378.23
IUPAC NameN-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide
SMILESCCCC(C)S(=O)NC1CCC(C(=O)NC2=CC=C3CCCC3C2)CC1
InChIInChI=1S/C21H34N2O2S/c1-3-5-15(2)26(25)23-19-11-9-17(10-12-19)21(24)22-20-13-8-16-6-4-7-18(16)14-20/h8,13,15,17-19,23H,3-7,9-12,14H2,1-2H3,(H,22,24)
InChIKeyBGZOUYWJYHIEDU-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.58
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide 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

(4R)-4-(tert-butylsulfinylamino)-N-(4,7-dimethyl-2,3,7,7a-tetrahydro-1-benzothiophen-5-yl)cyclohex-2-ene-1-carboxamide
CID 70892524
5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
CID 71040281
N-(2,3,7,7a-tetrahydro-1H-inden-5-yl)-4-(2-methylbutan-2-ylsulfinylamino)cyclohexane-1-carboxamide
CID 71040349
5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide
CID 71040475
N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 71040476
N-(5-chlorocyclohexa-1,3-dien-1-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 89215135

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide (CID 71040348) is N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide is CCCC(C)S(=O)NC1CCC(C(=O)NC2=CC=C3CCCC3C2)CC1.
What is the InChIKey of N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide?
The InChIKey is BGZOUYWJYHIEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2S/c1-3-5-15(2)26(25)23-19-11-9-17(10-12-19)21(24)22-20-13-8-16-6-4-7-18(16)14-20/h8,13,15,17-19,23H,3-7,9-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide?
N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide has a molecular weight of 378.58 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 71040348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).