N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide

C10H14ClN3O3S2 — CID 61047620

IUPACN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(S(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C10H14ClN3O3S2/c1-7(15)13-8-3-2-4-14(6-8)19(16,17)9-5-12-10(11)18-9/h5,8H,2-4,6H2,1H3,(H,13,15)
InChIKeyDPWCVIRLVFQSJF-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.09
Rot. Bonds3

About N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide

N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide (PubChem CID 61047620) has the molecular formula C10H14ClN3O3S2 and a molecular weight of 323.83 g/mol. Its IUPAC name is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide
PubChem CID61047620
Molecular FormulaC10H14ClN3O3S2
Molecular Weight323.83 g/mol
Exact Mass323.02
IUPAC NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(S(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C10H14ClN3O3S2/c1-7(15)13-8-3-2-4-14(6-8)19(16,17)9-5-12-10(11)18-9/h5,8H,2-4,6H2,1H3,(H,13,15)
InChIKeyDPWCVIRLVFQSJF-UHFFFAOYSA-N
XLogP1.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide (CID 61047620) is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(S(=O)(=O)c2cnc(Cl)s2)C1.
What is the InChIKey of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide?
The InChIKey is DPWCVIRLVFQSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S2/c1-7(15)13-8-3-2-4-14(6-8)19(16,17)9-5-12-10(11)18-9/h5,8H,2-4,6H2,1H3,(H,13,15).
What are the key properties of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide?
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide has a molecular weight of 323.83 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 61047620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).