N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide

C12H25N3O3S — CID 61356858

IUPACN,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-5-13(6-2)12(16)14-7-9-15(10-8-14)19(17,18)11(3)4/h11H,5-10H2,1-4H3
InChIKeyWWTTYAIDVRLWRE-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.80
Rot. Bonds4

About N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide

N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide (PubChem CID 61356858) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide
PubChem CID61356858
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-5-13(6-2)12(16)14-7-9-15(10-8-14)19(17,18)11(3)4/h11H,5-10H2,1-4H3
InChIKeyWWTTYAIDVRLWRE-UHFFFAOYSA-N
XLogP0.80
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-propan-2-ylsulfonylpiperazine-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,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide (CID 61356858) is N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is WWTTYAIDVRLWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-5-13(6-2)12(16)14-7-9-15(10-8-14)19(17,18)11(3)4/h11H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide?
N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 61356858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).