2-amino-N-cyclohexylethanesulfonamide chloride

C8H18ClN2O2S- — CID 53347795

IUPAC2-amino-N-cyclohexylethanesulfonamide chloride
SMILESNCCS(=O)(=O)NC1CCCCC1.[Cl-]
InChIInChI=1S/C8H18N2O2S.ClH/c9-6-7-13(11,12)10-8-4-2-1-3-5-8;/h8,10H,1-7,9H2;1H/p-1
InChIKeyDPTQVQVBUAXYQS-UHFFFAOYSA-M
MW241.76 g/mol
LogP-2.80
Rot. Bonds4

About 2-amino-N-cyclohexylethanesulfonamide chloride

2-amino-N-cyclohexylethanesulfonamide chloride (PubChem CID 53347795) has the molecular formula C8H18ClN2O2S- and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-amino-N-cyclohexylethanesulfonamide chloride.

Molecular Properties

Compound Name2-amino-N-cyclohexylethanesulfonamide chloride
PubChem CID53347795
Molecular FormulaC8H18ClN2O2S-
Molecular Weight241.76 g/mol
Exact Mass241.08
IUPAC Name2-amino-N-cyclohexylethanesulfonamide chloride
SMILESNCCS(=O)(=O)NC1CCCCC1.[Cl-]
InChIInChI=1S/C8H18N2O2S.ClH/c9-6-7-13(11,12)10-8-4-2-1-3-5-8;/h8,10H,1-7,9H2;1H/p-1
InChIKeyDPTQVQVBUAXYQS-UHFFFAOYSA-M
XLogP-2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 5-2.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopropylethanesulfonamide
CID 16787497
2-amino-N-(3-ethylcyclohexyl)ethanesulfonamide
CID 64749798
6-chloro-N-cyclohexylhexane-1-sulfonamide
CID 22111516
1-chloro-N-cycloheptylmethanesulfonamide
CID 63666370
2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide
CID 61476840
6-chloro-N-cyclopentylhexane-1-sulfonamide
CID 22111628
N-cyclohexyl-2-ethoxyethanesulfonamide
CID 62732931
2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide
CID 158558609
2-amino-N-(2-methylcyclopentyl)ethanesulfonamide
CID 63281586
3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid
CID 143330375
N-cyclohexylprop-2-ene-1-sulfonamide
CID 78925210
N-cyclohexyl-2,2-dimethylpropane-1-sulfonamide
CID 64591382

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexylethanesulfonamide chloride?
The IUPAC name of 2-amino-N-cyclohexylethanesulfonamide chloride (CID 53347795) is 2-amino-N-cyclohexylethanesulfonamide chloride.
What is the SMILES notation for 2-amino-N-cyclohexylethanesulfonamide chloride?
The canonical SMILES for 2-amino-N-cyclohexylethanesulfonamide chloride is NCCS(=O)(=O)NC1CCCCC1.[Cl-].
What is the InChIKey of 2-amino-N-cyclohexylethanesulfonamide chloride?
The InChIKey is DPTQVQVBUAXYQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O2S.ClH/c9-6-7-13(11,12)10-8-4-2-1-3-5-8;/h8,10H,1-7,9H2;1H/p-1.
What are the key properties of 2-amino-N-cyclohexylethanesulfonamide chloride?
2-amino-N-cyclohexylethanesulfonamide chloride has a molecular weight of 241.76 g/mol, XLogP of -2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexylethanesulfonamide chloride is sourced from PubChem (CID 53347795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).