N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide

C12H23NO3S — CID 164635570

IUPACN-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide
SMILESC[C@H](O)CN(C1CCCCC1)S(=O)(=O)C1CC1
InChIInChI=1S/C12H23NO3S/c1-10(14)9-13(11-5-3-2-4-6-11)17(15,16)12-7-8-12/h10-12,14H,2-9H2,1H3/t10-/m0/s1
InChIKeyNEPMQSVNRABQCR-JTQLQIEISA-N
MW261.39 g/mol
LogP1.49
Rot. Bonds5

About N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide

N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide (PubChem CID 164635570) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide
PubChem CID164635570
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide
SMILESC[C@H](O)CN(C1CCCCC1)S(=O)(=O)C1CC1
InChIInChI=1S/C12H23NO3S/c1-10(14)9-13(11-5-3-2-4-6-11)17(15,16)12-7-8-12/h10-12,14H,2-9H2,1H3/t10-/m0/s1
InChIKeyNEPMQSVNRABQCR-JTQLQIEISA-N
XLogP1.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-fluoro-N-(2-hydroxypropyl)propane-1-sulfonamide
CID 112406515
Propane-1-sulfonic acid cyclopropyl-(2-hydroxy-ethyl)-amide
CID 43577530
N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide
CID 143141557
N-cyclopropyl-N-[(2S)-1-hydroxyhexan-2-yl]propane-2-sulfonamide
CID 170081111
N-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3330229
N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 43577532
N-(2-hydroxyethyl)-N-pentan-3-ylcyclohexanesulfonamide
CID 54998654
N-cyclohexyl-N-(2-hydroxyethyl)cyclohexanesulfonamide
CID 54998706
N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 54998852
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanesulfonamide
CID 54999093
N-cyclohexyl-N-(2-hydroxyethyl)-2-methoxyethanesulfonamide
CID 55014634
N-cyclohexyl-N-(2-hydroxyethyl)-3-methoxypropane-1-sulfonamide
CID 55172112

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide?
The IUPAC name of N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide (CID 164635570) is N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide is C[C@H](O)CN(C1CCCCC1)S(=O)(=O)C1CC1.
What is the InChIKey of N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide?
The InChIKey is NEPMQSVNRABQCR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO3S/c1-10(14)9-13(11-5-3-2-4-6-11)17(15,16)12-7-8-12/h10-12,14H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide?
N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide has a molecular weight of 261.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide is sourced from PubChem (CID 164635570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).