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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Related Compounds

N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163344051
(7S)-7-methyl-4-(1,3-thiazol-5-ylmethyl)-1,4-thiazepane 1,1-dioxide
CID 129401951
N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 171700798
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 141119383
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 166600630
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
CID 112548978
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163349605

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).