2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride

C9H18ClNO4S2 — CID 81357977

IUPAC2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C9H18ClNO4S2/c10-16(12,13)7-6-11-17(14,15)8-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyGXDVVNCJDHYANO-UHFFFAOYSA-N
MW303.83 g/mol
LogP1.05
Rot. Bonds6

About 2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride

2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride (PubChem CID 81357977) has the molecular formula C9H18ClNO4S2 and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride
PubChem CID81357977
Molecular FormulaC9H18ClNO4S2
Molecular Weight303.83 g/mol
Exact Mass303.04
IUPAC Name2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C9H18ClNO4S2/c10-16(12,13)7-6-11-17(14,15)8-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyGXDVVNCJDHYANO-UHFFFAOYSA-N
XLogP1.05
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentylmethanesulfonyl chloride
CID 2735404
1-cyclohexyl-N-(2-methylpropyl)methanesulfonamide
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CID 114285500
N-[(3-chlorocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 114148320
N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 64929835
5-(cyclohexylmethylsulfonylamino)-2-methylpentanoic acid
CID 104682974
N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide
CID 114295370
1-cyclohexyl-N-(2,2-dimethoxyethyl)methanesulfonamide
CID 62967339
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
CID 119958818
1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974331
N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide
CID 80505534
N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide
CID 64990338

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride?
The IUPAC name of 2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride (CID 81357977) is 2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride.
What is the SMILES notation for 2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride?
The canonical SMILES for 2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride is O=S(=O)(Cl)CCNS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride?
The InChIKey is GXDVVNCJDHYANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO4S2/c10-16(12,13)7-6-11-17(14,15)8-9-4-2-1-3-5-9/h9,11H,1-8H2.
What are the key properties of 2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride?
2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride has a molecular weight of 303.83 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonylamino)ethanesulfonyl chloride is sourced from PubChem (CID 81357977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).