2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide

C10H16ClN3O2S2 — CID 43455814

IUPAC2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H16ClN3O2S2/c1-2-14-5-3-4-8(14)6-13-18(15,16)9-7-12-10(11)17-9/h7-8,13H,2-6H2,1H3
InChIKeyCJRGOBMHEBDLQR-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.56
Rot. Bonds5

About 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 43455814) has the molecular formula C10H16ClN3O2S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID43455814
Molecular FormulaC10H16ClN3O2S2
Molecular Weight309.84 g/mol
Exact Mass309.04
IUPAC Name2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H16ClN3O2S2/c1-2-14-5-3-4-8(14)6-13-18(15,16)9-7-12-10(11)17-9/h7-8,13H,2-6H2,1H3
InChIKeyCJRGOBMHEBDLQR-UHFFFAOYSA-N
XLogP1.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 43455814) is 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide is CCN1CCCC1CNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is CJRGOBMHEBDLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S2/c1-2-14-5-3-4-8(14)6-13-18(15,16)9-7-12-10(11)17-9/h7-8,13H,2-6H2,1H3.
What are the key properties of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 309.84 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).