N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide

C10H16ClN3O4S3 — CID 61041111

IUPACN-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H16ClN3O4S3/c1-7-9(19-10(11)12-7)21(17,18)14-5-3-8(4-6-14)13-20(2,15)16/h8,13H,3-6H2,1-2H3
InChIKeyQACZXVSNNUNISR-UHFFFAOYSA-N
MW373.91 g/mol
LogP0.81
Rot. Bonds4

About N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide

N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide (PubChem CID 61041111) has the molecular formula C10H16ClN3O4S3 and a molecular weight of 373.91 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
PubChem CID61041111
Molecular FormulaC10H16ClN3O4S3
Molecular Weight373.91 g/mol
Exact Mass373.00
IUPAC NameN-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H16ClN3O4S3/c1-7-9(19-10(11)12-7)21(17,18)14-5-3-8(4-6-14)13-20(2,15)16/h8,13H,3-6H2,1-2H3
InChIKeyQACZXVSNNUNISR-UHFFFAOYSA-N
XLogP0.81
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide (CID 61041111) is N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is QACZXVSNNUNISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O4S3/c1-7-9(19-10(11)12-7)21(17,18)14-5-3-8(4-6-14)13-20(2,15)16/h8,13H,3-6H2,1-2H3.
What are the key properties of N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 373.91 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 61041111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).