3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride

C11H14ClNO3S2 — CID 79808382

IUPAC3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)N2CCC(C)C2)csc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO3S2/c1-7-3-4-13(5-7)10(14)9-6-17-11(8(9)2)18(12,15)16/h6-7H,3-5H2,1-2H3
InChIKeyTXSUMJQDGJQJLD-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.47
Rot. Bonds2

About 3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride

3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride (PubChem CID 79808382) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride
PubChem CID79808382
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)N2CCC(C)C2)csc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO3S2/c1-7-3-4-13(5-7)10(14)9-6-17-11(8(9)2)18(12,15)16/h6-7H,3-5H2,1-2H3
InChIKeyTXSUMJQDGJQJLD-UHFFFAOYSA-N
XLogP2.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 79807433
2,3-dimethyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65372321
2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride
CID 98113238
4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65367626
4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one
CID 127895292
5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 82878062
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
3-fluoro-2-methyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388971
4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide
CID 79825326
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride (CID 79808382) is 3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride is Cc1c(C(=O)N2CCC(C)C2)csc1S(=O)(=O)Cl.
What is the InChIKey of 3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The InChIKey is TXSUMJQDGJQJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c1-7-3-4-13(5-7)10(14)9-6-17-11(8(9)2)18(12,15)16/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride?
3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride has a molecular weight of 307.82 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 79808382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).