(1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone

C20H28N2O3S — CID 11667966

IUPAC(1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCNC(c2ccccc2)C1)C1(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H28N2O3S/c23-19(20(11-12-20)26(24,25)17-9-5-2-6-10-17)22-14-13-21-18(15-22)16-7-3-1-4-8-16/h1,3-4,7-8,17-18,21H,2,5-6,9-15H2
InChIKeyKCKUJDZUDDFYSH-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.44
Rot. Bonds4

About (1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone

(1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone (PubChem CID 11667966) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is (1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone
PubChem CID11667966
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name(1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCNC(c2ccccc2)C1)C1(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H28N2O3S/c23-19(20(11-12-20)26(24,25)17-9-5-2-6-10-17)22-14-13-21-18(15-22)16-7-3-1-4-8-16/h1,3-4,7-8,17-18,21H,2,5-6,9-15H2
InChIKeyKCKUJDZUDDFYSH-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone?
The IUPAC name of (1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone (CID 11667966) is (1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone is O=C(N1CCNC(c2ccccc2)C1)C1(S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of (1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone?
The InChIKey is KCKUJDZUDDFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c23-19(20(11-12-20)26(24,25)17-9-5-2-6-10-17)22-14-13-21-18(15-22)16-7-3-1-4-8-16/h1,3-4,7-8,17-18,21H,2,5-6,9-15H2.
What are the key properties of (1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone?
(1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone has a molecular weight of 376.52 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylsulfonylcyclopropyl)-(3-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 11667966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).