N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C12H23N3O3S — CID 20630942

IUPACN-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-9(2)19(17,18)14-11-5-7-15(8-6-11)12(16)13-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H,13,16)
InChIKeyWXLLJTHYTZBUNJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.65
Rot. Bonds4

About N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20630942) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20630942
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-9(2)19(17,18)14-11-5-7-15(8-6-11)12(16)13-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H,13,16)
InChIKeyWXLLJTHYTZBUNJ-UHFFFAOYSA-N
XLogP0.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20630942) is N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is WXLLJTHYTZBUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-9(2)19(17,18)14-11-5-7-15(8-6-11)12(16)13-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H,13,16).
What are the key properties of N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20630942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).