N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide

C13H26N2O4S2 — CID 63765461

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide
SMILESCC1CCCC(CN)(NS(=O)(=O)C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C13H26N2O4S2/c1-11-3-2-6-13(9-11,10-14)15-21(18,19)12-4-7-20(16,17)8-5-12/h11-12,15H,2-10,14H2,1H3
InChIKeyLREWZQGNQNFABL-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.39
Rot. Bonds4

About N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide (PubChem CID 63765461) has the molecular formula C13H26N2O4S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide
PubChem CID63765461
Molecular FormulaC13H26N2O4S2
Molecular Weight338.50 g/mol
Exact Mass338.13
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide
SMILESCC1CCCC(CN)(NS(=O)(=O)C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C13H26N2O4S2/c1-11-3-2-6-13(9-11,10-14)15-21(18,19)12-4-7-20(16,17)8-5-12/h11-12,15H,2-10,14H2,1H3
InChIKeyLREWZQGNQNFABL-UHFFFAOYSA-N
XLogP0.39
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide (CID 63765461) is N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide is CC1CCCC(CN)(NS(=O)(=O)C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide?
The InChIKey is LREWZQGNQNFABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S2/c1-11-3-2-6-13(9-11,10-14)15-21(18,19)12-4-7-20(16,17)8-5-12/h11-12,15H,2-10,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide has a molecular weight of 338.50 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 63765461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).