N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide

C13H23NO2S — CID 56839416

IUPACN-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1C=C[C@H]2CCCC[C@H]21
InChIInChI=1S/C13H23NO2S/c1-13(2,3)17(15,16)14-12-9-8-10-6-4-5-7-11(10)12/h8-12,14H,4-7H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyURCSVTGJYOCBLR-IJLUTSLNSA-N
MW257.40 g/mol
LogP2.45
Rot. Bonds2

About N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide

N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide (PubChem CID 56839416) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide
PubChem CID56839416
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1C=C[C@H]2CCCC[C@H]21
InChIInChI=1S/C13H23NO2S/c1-13(2,3)17(15,16)14-12-9-8-10-6-4-5-7-11(10)12/h8-12,14H,4-7H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyURCSVTGJYOCBLR-IJLUTSLNSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide 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

(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134941850
(R)-N-[(E,1S)-1-cyclohexylhex-2-enyl]-2-methylpropane-2-sulfinamide
CID 135000883
N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide
CID 58760675
N-cyclooct-2-en-1-yl-4-methylcyclohexane-1-sulfonamide
CID 72415444
N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfonamide
CID 101566531
N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide
CID 102107435
N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]propyl]-2-methylpropane-2-sulfinamide
CID 102473484
N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide
CID 143777849

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide (CID 56839416) is N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)N[C@@H]1C=C[C@H]2CCCC[C@H]21.
What is the InChIKey of N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is URCSVTGJYOCBLR-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-13(2,3)17(15,16)14-12-9-8-10-6-4-5-7-11(10)12/h8-12,14H,4-7H2,1-3H3/t10-,11-,12-/m1/s1.
What are the key properties of N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide?
N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 257.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 56839416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).