N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide

C13H21N3O2S2 — CID 163348150

IUPACN-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
SMILESCN(C1CCN(Cc2cncs2)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C13H21N3O2S2/c1-15(20(17,18)13-2-3-13)11-4-6-16(7-5-11)9-12-8-14-10-19-12/h8,10-11,13H,2-7,9H2,1H3
InChIKeyJDAOPRRTJLWIJT-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.53
Rot. Bonds5

About N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide

N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 163348150) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
PubChem CID163348150
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC NameN-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
SMILESCN(C1CCN(Cc2cncs2)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C13H21N3O2S2/c1-15(20(17,18)13-2-3-13)11-4-6-16(7-5-11)9-12-8-14-10-19-12/h8,10-11,13H,2-7,9H2,1H3
InChIKeyJDAOPRRTJLWIJT-UHFFFAOYSA-N
XLogP1.53
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide (CID 163348150) is N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide is CN(C1CCN(Cc2cncs2)CC1)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is JDAOPRRTJLWIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-15(20(17,18)13-2-3-13)11-4-6-16(7-5-11)9-12-8-14-10-19-12/h8,10-11,13H,2-7,9H2,1H3.
What are the key properties of N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 315.46 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 163348150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).