N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide

C19H26N4O3S2 — CID 11223972

IUPACN,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide
SMILESCc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)N(C)C)CC2)s1
InChIInChI=1S/C19H26N4O3S2/c1-14-6-4-5-7-16(14)18(24)17-13-21-19(27-17)20-12-15-8-10-23(11-9-15)28(25,26)22(2)3/h4-7,13,15H,8-12H2,1-3H3,(H,20,21)
InChIKeyHUSWCMDZIFEDQC-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.61
Rot. Bonds7

About N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide

N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide (PubChem CID 11223972) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide
PubChem CID11223972
Molecular FormulaC19H26N4O3S2
Molecular Weight422.58 g/mol
Exact Mass422.14
IUPAC NameN,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide
SMILESCc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)N(C)C)CC2)s1
InChIInChI=1S/C19H26N4O3S2/c1-14-6-4-5-7-16(14)18(24)17-13-21-19(27-17)20-12-15-8-10-23(11-9-15)28(25,26)22(2)3/h4-7,13,15H,8-12H2,1-3H3,(H,20,21)
InChIKeyHUSWCMDZIFEDQC-UHFFFAOYSA-N
XLogP2.61
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide (CID 11223972) is N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide is Cc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)N(C)C)CC2)s1.
What is the InChIKey of N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide?
The InChIKey is HUSWCMDZIFEDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-14-6-4-5-7-16(14)18(24)17-13-21-19(27-17)20-12-15-8-10-23(11-9-15)28(25,26)22(2)3/h4-7,13,15H,8-12H2,1-3H3,(H,20,21).
What are the key properties of N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide?
N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide has a molecular weight of 422.58 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 11223972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).