N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide

C13H26N2O3S — CID 115362877

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1(CO)CCCC1)N1CCCCCC1
InChIInChI=1S/C13H26N2O3S/c16-12-13(7-3-4-8-13)11-14-19(17,18)15-9-5-1-2-6-10-15/h14,16H,1-12H2
InChIKeyMVNMLHQBMDRFAU-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.25
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide (PubChem CID 115362877) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
PubChem CID115362877
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1(CO)CCCC1)N1CCCCCC1
InChIInChI=1S/C13H26N2O3S/c16-12-13(7-3-4-8-13)11-14-19(17,18)15-9-5-1-2-6-10-15/h14,16H,1-12H2
InChIKeyMVNMLHQBMDRFAU-UHFFFAOYSA-N
XLogP1.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 103967074
N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide
CID 115365086
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 115755605
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312118
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 115455401
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpiperidine-1-sulfonamide
CID 115362866
N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide
CID 81130828
4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid
CID 115438600
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide
CID 120896907
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110292609
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
CID 103969014

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide (CID 115362877) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide is O=S(=O)(NCC1(CO)CCCC1)N1CCCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide?
The InChIKey is MVNMLHQBMDRFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c16-12-13(7-3-4-8-13)11-14-19(17,18)15-9-5-1-2-6-10-15/h14,16H,1-12H2.
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide is sourced from PubChem (CID 115362877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).