[1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C14H14ClNO3S2 — CID 168673840

IUPAC[1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1Cc1csc2ccccc12
InChIInChI=1S/C14H14ClNO3S2/c15-21(18,19)9-10-5-14(17)16(6-10)7-11-8-20-13-4-2-1-3-12(11)13/h1-4,8,10H,5-7,9H2
InChIKeyQPWTWVKQXJKVKT-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.82
Rot. Bonds4

About [1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673840) has the molecular formula C14H14ClNO3S2 and a molecular weight of 343.86 g/mol. Its IUPAC name is [1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673840
Molecular FormulaC14H14ClNO3S2
Molecular Weight343.86 g/mol
Exact Mass343.01
IUPAC Name[1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1Cc1csc2ccccc12
InChIInChI=1S/C14H14ClNO3S2/c15-21(18,19)9-10-5-14(17)16(6-10)7-11-8-20-13-4-2-1-3-12(11)13/h1-4,8,10H,5-7,9H2
InChIKeyQPWTWVKQXJKVKT-UHFFFAOYSA-N
XLogP2.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-3-ylmethyl)-4-sulfanylpyrrolidin-2-one
CID 168709584
1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51087745
1-[2-(1-benzothiophen-3-yl)ethyl]-4-(bromomethyl)pyrrolidin-2-one
CID 168505027
[5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673791
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673658
[1-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673856
[5-oxo-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673804
[1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676615
1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione
CID 2826170
[5-oxo-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673835
[5-oxo-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673732
[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673811

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673840) is [1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1Cc1csc2ccccc12.
What is the InChIKey of [1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is QPWTWVKQXJKVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S2/c15-21(18,19)9-10-5-14(17)16(6-10)7-11-8-20-13-4-2-1-3-12(11)13/h1-4,8,10H,5-7,9H2.
What are the key properties of [1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 343.86 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).