1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride

C11H18ClNO3S — CID 168712043

IUPAC1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1CC1CCCCC1
InChIInChI=1S/C11H18ClNO3S/c12-17(15,16)10-6-11(14)13(8-10)7-9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeySPOXJCWVQDVXOQ-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.74
Rot. Bonds3

About 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712043) has the molecular formula C11H18ClNO3S and a molecular weight of 279.79 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712043
Molecular FormulaC11H18ClNO3S
Molecular Weight279.79 g/mol
Exact Mass279.07
IUPAC Name1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1CC1CCCCC1
InChIInChI=1S/C11H18ClNO3S/c12-17(15,16)10-6-11(14)13(8-10)7-9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeySPOXJCWVQDVXOQ-UHFFFAOYSA-N
XLogP1.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-3-sulfonyl chloride
CID 168712031
4-(chloromethyl)-1-(cyclohexylmethyl)pyrrolidin-2-one
CID 168508195
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163
1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711208
1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711427
5-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-sulfonyl chloride
CID 168712180
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
CID 168711091
cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 95352331
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712089

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712043) is 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is SPOXJCWVQDVXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO3S/c12-17(15,16)10-6-11(14)13(8-10)7-9-4-2-1-3-5-9/h9-10H,1-8H2.
What are the key properties of 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 279.79 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).