N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide

C17H24N4O3S2 — CID 20630907

IUPACN-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3ncsc3c2)CC1
InChIInChI=1S/C17H24N4O3S2/c1-17(2,3)26(23,24)20-12-6-8-21(9-7-12)16(22)19-13-4-5-14-15(10-13)25-11-18-14/h4-5,10-12,20H,6-9H2,1-3H3,(H,19,22)
InChIKeyAJSSDUDNTCUJSY-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.01
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide

N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20630907) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
PubChem CID20630907
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3ncsc3c2)CC1
InChIInChI=1S/C17H24N4O3S2/c1-17(2,3)26(23,24)20-12-6-8-21(9-7-12)16(22)19-13-4-5-14-15(10-13)25-11-18-14/h4-5,10-12,20H,6-9H2,1-3H3,(H,19,22)
InChIKeyAJSSDUDNTCUJSY-UHFFFAOYSA-N
XLogP3.01
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide (CID 20630907) is N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3ncsc3c2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is AJSSDUDNTCUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-17(2,3)26(23,24)20-12-6-8-21(9-7-12)16(22)19-13-4-5-14-15(10-13)25-11-18-14/h4-5,10-12,20H,6-9H2,1-3H3,(H,19,22).
What are the key properties of N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide?
N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20630907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).