N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide

C10H21NO3S — CID 64723362

IUPACN-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C10H21NO3S/c1-2-15(13,14)11-9-10(12)7-5-3-4-6-8-10/h11-12H,2-9H2,1H3
InChIKeyUMTAPIRHLUPTAF-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.01
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide

N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide (PubChem CID 64723362) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide
PubChem CID64723362
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C10H21NO3S/c1-2-15(13,14)11-9-10(12)7-5-3-4-6-8-10/h11-12H,2-9H2,1H3
InChIKeyUMTAPIRHLUPTAF-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide 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-hydroxycycloheptyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide (CID 64723362) is N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide?
The InChIKey is UMTAPIRHLUPTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-15(13,14)11-9-10(12)7-5-3-4-6-8-10/h11-12H,2-9H2,1H3.
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide?
N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide is sourced from PubChem (CID 64723362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).