N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C16H22N4O3S2 — CID 20630903

IUPACN-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3ncsc3c2)CC1
InChIInChI=1S/C16H22N4O3S2/c1-11(2)25(22,23)19-12-5-7-20(8-6-12)16(21)18-13-3-4-14-15(9-13)24-10-17-14/h3-4,9-12,19H,5-8H2,1-2H3,(H,18,21)
InChIKeyVYFJKBGPJRGVSG-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.62
Rot. Bonds4

About N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20630903) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20630903
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC NameN-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3ncsc3c2)CC1
InChIInChI=1S/C16H22N4O3S2/c1-11(2)25(22,23)19-12-5-7-20(8-6-12)16(21)18-13-3-4-14-15(9-13)24-10-17-14/h3-4,9-12,19H,5-8H2,1-2H3,(H,18,21)
InChIKeyVYFJKBGPJRGVSG-UHFFFAOYSA-N
XLogP2.62
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20630903) is N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3ncsc3c2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is VYFJKBGPJRGVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-11(2)25(22,23)19-12-5-7-20(8-6-12)16(21)18-13-3-4-14-15(9-13)24-10-17-14/h3-4,9-12,19H,5-8H2,1-2H3,(H,18,21).
What are the key properties of N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-(1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.62, 4 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-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20630903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).