1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride

C14H19ClN2O3S — CID 114611464

IUPAC1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
SMILESCC1(C)CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C2CC2)C1
InChIInChI=1S/C14H19ClN2O3S/c1-14(2)5-6-16(9-14)13(18)12-7-11(21(15,19)20)8-17(12)10-3-4-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyCYCDSYINMXOJNQ-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.62
Rot. Bonds3

About 1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride

1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride (PubChem CID 114611464) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
PubChem CID114611464
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
SMILESCC1(C)CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C2CC2)C1
InChIInChI=1S/C14H19ClN2O3S/c1-14(2)5-6-16(9-14)13(18)12-7-11(21(15,19)20)8-17(12)10-3-4-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyCYCDSYINMXOJNQ-UHFFFAOYSA-N
XLogP2.62
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride (CID 114611464) is 1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride is CC1(C)CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
The InChIKey is CYCDSYINMXOJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-14(2)5-6-16(9-14)13(18)12-7-11(21(15,19)20)8-17(12)10-3-4-10/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride has a molecular weight of 330.84 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).