N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide

C14H25N3O2S2 — CID 164634300

IUPACN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide
SMILESCC[C@H](NS(=O)(=O)N1CCC(C)CC1)c1nc(C)c(C)s1
InChIInChI=1S/C14H25N3O2S2/c1-5-13(14-15-11(3)12(4)20-14)16-21(18,19)17-8-6-10(2)7-9-17/h10,13,16H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyFTMSJXCBSONJEQ-ZDUSSCGKSA-N
MW331.51 g/mol
LogP2.78
Rot. Bonds5

About N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide

N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 164634300) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide
PubChem CID164634300
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC NameN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide
SMILESCC[C@H](NS(=O)(=O)N1CCC(C)CC1)c1nc(C)c(C)s1
InChIInChI=1S/C14H25N3O2S2/c1-5-13(14-15-11(3)12(4)20-14)16-21(18,19)17-8-6-10(2)7-9-17/h10,13,16H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyFTMSJXCBSONJEQ-ZDUSSCGKSA-N
XLogP2.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide (CID 164634300) is N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide is CC[C@H](NS(=O)(=O)N1CCC(C)CC1)c1nc(C)c(C)s1.
What is the InChIKey of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is FTMSJXCBSONJEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-5-13(14-15-11(3)12(4)20-14)16-21(18,19)17-8-6-10(2)7-9-17/h10,13,16H,5-9H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide?
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 164634300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).