1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide

C9H16N2O3S — CID 106127281

IUPAC1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCC1CCC(O)CC1
InChIInChI=1S/C9H16N2O3S/c10-5-6-15(13,14)11-7-8-1-3-9(12)4-2-8/h8-9,11-12H,1-4,6-7H2
InChIKeyCMTDESPHLHEIBO-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.02
Rot. Bonds4

About 1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide

1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide (PubChem CID 106127281) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide
PubChem CID106127281
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCC1CCC(O)CC1
InChIInChI=1S/C9H16N2O3S/c10-5-6-15(13,14)11-7-8-1-3-9(12)4-2-8/h8-9,11-12H,1-4,6-7H2
InChIKeyCMTDESPHLHEIBO-UHFFFAOYSA-N
XLogP-0.02
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide
CID 56541451
1-cyano-N-[2-(cyclopropylmethoxy)ethyl]methanesulfonamide
CID 103850392
2-(cyclopropylmethylsulfamoyl)acetic acid
CID 28773531
4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol
CID 114147014
N-[(4-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 114147060
2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126597
5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126720
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270235
1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
CID 104600508
3-(4-hydroxycyclohexyl)propanenitrile
CID 14022803
N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106126673

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide (CID 106127281) is 1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide is N#CCS(=O)(=O)NCC1CCC(O)CC1.
What is the InChIKey of 1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide?
The InChIKey is CMTDESPHLHEIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c10-5-6-15(13,14)11-7-8-1-3-9(12)4-2-8/h8-9,11-12H,1-4,6-7H2.
What are the key properties of 1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide?
1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide has a molecular weight of 232.30 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(4-hydroxycyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 106127281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).