5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine

C13H29N3O2S — CID 63190695

IUPAC5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine
SMILESCS(=O)(=O)CCCN1CCN(CCCCCN)CC1
InChIInChI=1S/C13H29N3O2S/c1-19(17,18)13-5-8-16-11-9-15(10-12-16)7-4-2-3-6-14/h2-14H2,1H3
InChIKeyXLZBONCRSJRBCQ-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.17
Rot. Bonds9

About 5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine

5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine (PubChem CID 63190695) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine
PubChem CID63190695
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine
SMILESCS(=O)(=O)CCCN1CCN(CCCCCN)CC1
InChIInChI=1S/C13H29N3O2S/c1-19(17,18)13-5-8-16-11-9-15(10-12-16)7-4-2-3-6-14/h2-14H2,1H3
InChIKeyXLZBONCRSJRBCQ-UHFFFAOYSA-N
XLogP0.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine
CID 63190603
9-methylsulfonylnonan-1-amine
CID 101417644
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 63832633
5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 55010115
4-[4-(2-propylsulfonylethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 106722636
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
4-bromo-1-(3-methylsulfonylpropyl)piperidine
CID 80679011
4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 55010068
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine (CID 63190695) is 5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine is CS(=O)(=O)CCCN1CCN(CCCCCN)CC1.
What is the InChIKey of 5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is XLZBONCRSJRBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-19(17,18)13-5-8-16-11-9-15(10-12-16)7-4-2-3-6-14/h2-14H2,1H3.
What are the key properties of 5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine?
5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 0.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 63190695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).