N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide

C15H24ClN3O3S2 — CID 119046095

IUPACN-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide
SMILESCc1cc(S(=O)(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)sc1Cl
InChIInChI=1S/C15H24ClN3O3S2/c1-10-9-12(23-13(10)16)24(21,22)18-11-5-7-19(8-6-11)14(20)17-15(2,3)4/h9,11,18H,5-8H2,1-4H3,(H,17,20)
InChIKeyCCDIRBWOLDMAFX-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.96
Rot. Bonds3

About N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide

N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide (PubChem CID 119046095) has the molecular formula C15H24ClN3O3S2 and a molecular weight of 393.96 g/mol. Its IUPAC name is N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide
PubChem CID119046095
Molecular FormulaC15H24ClN3O3S2
Molecular Weight393.96 g/mol
Exact Mass393.09
IUPAC NameN-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide
SMILESCc1cc(S(=O)(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)sc1Cl
InChIInChI=1S/C15H24ClN3O3S2/c1-10-9-12(23-13(10)16)24(21,22)18-11-5-7-19(8-6-11)14(20)17-15(2,3)4/h9,11,18H,5-8H2,1-4H3,(H,17,20)
InChIKeyCCDIRBWOLDMAFX-UHFFFAOYSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (3S)-3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pyrrolidine-1-carboxylate
CID 124853545
ethyl (3R)-3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pyrrolidine-1-carboxylate
CID 124853544
5-chloro-N-cyclohexyl-4-methylthiophene-2-sulfonamide
CID 103099871
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138032308
N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
CID 39966135
5-bromo-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 79932001
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide
CID 79934920
3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609986
5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide
CID 80735211
5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
4-acetamido-N-tert-butylpiperidine-1-carboxamide
CID 110748466

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide (CID 119046095) is N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide is Cc1cc(S(=O)(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)sc1Cl.
What is the InChIKey of N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide?
The InChIKey is CCDIRBWOLDMAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3S2/c1-10-9-12(23-13(10)16)24(21,22)18-11-5-7-19(8-6-11)14(20)17-15(2,3)4/h9,11,18H,5-8H2,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide?
N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide has a molecular weight of 393.96 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide is sourced from PubChem (CID 119046095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).