N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide

C11H23NO3S — CID 64724990

IUPACN-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H23NO3S/c1-2-3-9-16(14,15)12-10-11(13)7-5-4-6-8-11/h12-13H,2-10H2,1H3
InChIKeyJRBQXJSGCVIWJX-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.40
Rot. Bonds6

About N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide

N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide (PubChem CID 64724990) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide
PubChem CID64724990
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H23NO3S/c1-2-3-9-16(14,15)12-10-11(13)7-5-4-6-8-11/h12-13H,2-10H2,1H3
InChIKeyJRBQXJSGCVIWJX-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide (CID 64724990) is N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide?
The InChIKey is JRBQXJSGCVIWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-3-9-16(14,15)12-10-11(13)7-5-4-6-8-11/h12-13H,2-10H2,1H3.
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide?
N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 64724990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).