N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide

C9H19NO3S — CID 115903061

IUPACN-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CO)CCC1
InChIInChI=1S/C9H19NO3S/c1-2-3-7-14(12,13)10-9(8-11)5-4-6-9/h10-11H,2-8H2,1H3
InChIKeyLMVNUFNQTXEJIP-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.62
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide

N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide (PubChem CID 115903061) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide
PubChem CID115903061
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CO)CCC1
InChIInChI=1S/C9H19NO3S/c1-2-3-7-14(12,13)10-9(8-11)5-4-6-9/h10-11H,2-8H2,1H3
InChIKeyLMVNUFNQTXEJIP-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]butane-1-sulfonamide
CID 28940496
N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide
CID 28940678
4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 62552006
N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
CID 63857521
N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521346
N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 62520965
methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate
CID 115902866
N-[1-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 62520336
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290378
1-(butylsulfonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292658
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide
CID 62519905

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide (CID 115903061) is N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1(CO)CCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide?
The InChIKey is LMVNUFNQTXEJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-3-7-14(12,13)10-9(8-11)5-4-6-9/h10-11H,2-8H2,1H3.
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide?
N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide is sourced from PubChem (CID 115903061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).