N-(cyclohexylsulfonylmethyl)ethanamine

C9H19NO2S — CID 117036374

IUPACN-(cyclohexylsulfonylmethyl)ethanamine
SMILESCCNCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C9H19NO2S/c1-2-10-8-13(11,12)9-6-4-3-5-7-9/h9-10H,2-8H2,1H3
InChIKeyFHOGOPDXJOCVGA-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.30
Rot. Bonds4

About N-(cyclohexylsulfonylmethyl)ethanamine

N-(cyclohexylsulfonylmethyl)ethanamine (PubChem CID 117036374) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(cyclohexylsulfonylmethyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylsulfonylmethyl)ethanamine
PubChem CID117036374
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(cyclohexylsulfonylmethyl)ethanamine
SMILESCCNCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C9H19NO2S/c1-2-10-8-13(11,12)9-6-4-3-5-7-9/h9-10H,2-8H2,1H3
InChIKeyFHOGOPDXJOCVGA-UHFFFAOYSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine
CID 64675598
N-(2-cyclopentylsulfonylethyl)butan-1-amine
CID 106512849
cyclohexylsulfonylmethanethiol
CID 117036891
2-cyclopentylsulfonylacetaldehyde
CID 66222613
N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192
heptylsulfonylcyclooctane
CID 134525047
undecylsulfonylcyclohexane
CID 151596280
N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 82193873
1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol
CID 115476715
2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine
CID 79582120
2-cyclopentylsulfonyl-N-methylethanamine
CID 64673517
ethylsulfonylcyclopropane
CID 12063392

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylsulfonylmethyl)ethanamine?
The IUPAC name of N-(cyclohexylsulfonylmethyl)ethanamine (CID 117036374) is N-(cyclohexylsulfonylmethyl)ethanamine.
What is the SMILES notation for N-(cyclohexylsulfonylmethyl)ethanamine?
The canonical SMILES for N-(cyclohexylsulfonylmethyl)ethanamine is CCNCS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(cyclohexylsulfonylmethyl)ethanamine?
The InChIKey is FHOGOPDXJOCVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-10-8-13(11,12)9-6-4-3-5-7-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(cyclohexylsulfonylmethyl)ethanamine?
N-(cyclohexylsulfonylmethyl)ethanamine has a molecular weight of 205.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylsulfonylmethyl)ethanamine is sourced from PubChem (CID 117036374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).