(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride

C9H16ClNO3S — CID 168672525

IUPAC(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride
SMILESCCC(C)N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C9H16ClNO3S/c1-3-7(2)11-5-8(4-9(11)12)6-15(10,13)14/h7-8H,3-6H2,1-2H3
InChIKeyMQBQOGHWIFYCAY-UHFFFAOYSA-N
MW253.75 g/mol
LogP1.20
Rot. Bonds4

About (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride

(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride (PubChem CID 168672525) has the molecular formula C9H16ClNO3S and a molecular weight of 253.75 g/mol. Its IUPAC name is (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride
PubChem CID168672525
Molecular FormulaC9H16ClNO3S
Molecular Weight253.75 g/mol
Exact Mass253.05
IUPAC Name(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride
SMILESCCC(C)N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C9H16ClNO3S/c1-3-7(2)11-5-8(4-9(11)12)6-15(10,13)14/h7-8H,3-6H2,1-2H3
InChIKeyMQBQOGHWIFYCAY-UHFFFAOYSA-N
XLogP1.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 84701616
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
[1-[1-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672553
[5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672520
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 168680295
[1-(2-butan-2-ylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672528
[1-(2-methyl-1-pyridin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672467
[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672548
[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680344
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168675162
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672570

Frequently Asked Questions

What is the IUPAC name of (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride?
The IUPAC name of (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride (CID 168672525) is (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride?
The canonical SMILES for (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride is CCC(C)N1CC(CS(=O)(=O)Cl)CC1=O.
What is the InChIKey of (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride?
The InChIKey is MQBQOGHWIFYCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO3S/c1-3-7(2)11-5-8(4-9(11)12)6-15(10,13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride?
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride has a molecular weight of 253.75 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 168672525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).