3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine

C13H27N3O2S — CID 61065126

IUPAC3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine
SMILESNCCCN1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c14-7-4-8-15-9-11-16(12-10-15)19(17,18)13-5-2-1-3-6-13/h13H,1-12,14H2
InChIKeyPVYAVLFLDCDTBV-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.62
Rot. Bonds5

About 3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine

3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine (PubChem CID 61065126) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine
PubChem CID61065126
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine
SMILESNCCCN1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c14-7-4-8-15-9-11-16(12-10-15)19(17,18)13-5-2-1-3-6-13/h13H,1-12,14H2
InChIKeyPVYAVLFLDCDTBV-UHFFFAOYSA-N
XLogP0.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine (CID 61065126) is 3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine is NCCCN1CCN(S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of 3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine?
The InChIKey is PVYAVLFLDCDTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c14-7-4-8-15-9-11-16(12-10-15)19(17,18)13-5-2-1-3-6-13/h13H,1-12,14H2.
What are the key properties of 3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine?
3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylsulfonylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 61065126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).