4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide

C13H23N3O3S — CID 32501701

IUPAC4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CC=CCC2)CC1
InChIInChI=1S/C13H23N3O3S/c1-14(2)20(18,19)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h3-4,12H,5-11H2,1-2H3/t12-/m0/s1
InChIKeyJCAMGHSRBHHCLU-LBPRGKRZSA-N
MW301.41 g/mol
LogP0.29
Rot. Bonds3

About 4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 32501701) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID32501701
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CC=CCC2)CC1
InChIInChI=1S/C13H23N3O3S/c1-14(2)20(18,19)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h3-4,12H,5-11H2,1-2H3/t12-/m0/s1
InChIKeyJCAMGHSRBHHCLU-LBPRGKRZSA-N
XLogP0.29
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 32501701) is 4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CC=CCC2)CC1.
What is the InChIKey of 4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is JCAMGHSRBHHCLU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-14(2)20(18,19)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h3-4,12H,5-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 32501701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).