N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide

C14H19N3O2S3 — CID 18141554

IUPACN-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(-c2csc(N3CCCC3)n2)s1
InChIInChI=1S/C14H19N3O2S3/c1-22(18,19)15-7-6-11-4-5-13(21-11)12-10-20-14(16-12)17-8-2-3-9-17/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyQNATZJAONGTQGX-UHFFFAOYSA-N
MW357.53 g/mol
LogP2.56
Rot. Bonds6

About N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 18141554) has the molecular formula C14H19N3O2S3 and a molecular weight of 357.53 g/mol. Its IUPAC name is N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID18141554
Molecular FormulaC14H19N3O2S3
Molecular Weight357.53 g/mol
Exact Mass357.06
IUPAC NameN-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(-c2csc(N3CCCC3)n2)s1
InChIInChI=1S/C14H19N3O2S3/c1-22(18,19)15-7-6-11-4-5-13(21-11)12-10-20-14(16-12)17-8-2-3-9-17/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyQNATZJAONGTQGX-UHFFFAOYSA-N
XLogP2.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide (CID 18141554) is N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(-c2csc(N3CCCC3)n2)s1.
What is the InChIKey of N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is QNATZJAONGTQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S3/c1-22(18,19)15-7-6-11-4-5-13(21-11)12-10-20-14(16-12)17-8-2-3-9-17/h4-5,10,15H,2-3,6-9H2,1H3.
What are the key properties of N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 357.53 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 18141554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).