4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine

C14H29N3O2S — CID 61065130

IUPAC4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine
SMILESNCCCCN1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c15-8-4-5-9-16-10-12-17(13-11-16)20(18,19)14-6-2-1-3-7-14/h14H,1-13,15H2
InChIKeyLRNUGPQAEPNIDN-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.01
Rot. Bonds6

About 4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine

4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine (PubChem CID 61065130) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine
PubChem CID61065130
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine
SMILESNCCCCN1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c15-8-4-5-9-16-10-12-17(13-11-16)20(18,19)14-6-2-1-3-7-14/h14H,1-13,15H2
InChIKeyLRNUGPQAEPNIDN-UHFFFAOYSA-N
XLogP1.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine (CID 61065130) is 4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine is NCCCCN1CCN(S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of 4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine?
The InChIKey is LRNUGPQAEPNIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c15-8-4-5-9-16-10-12-17(13-11-16)20(18,19)14-6-2-1-3-7-14/h14H,1-13,15H2.
What are the key properties of 4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine?
4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylsulfonylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 61065130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).