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

C14H31N3O2S — CID 63832633

IUPAC5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine
SMILESCC(C)CCS(=O)(=O)N1CCN(CCCCCN)CC1
InChIInChI=1S/C14H31N3O2S/c1-14(2)6-13-20(18,19)17-11-9-16(10-12-17)8-5-3-4-7-15/h14H,3-13,15H2,1-2H3
InChIKeyUWUFSDYJGQHEDZ-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.11
Rot. Bonds9

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

5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine (PubChem CID 63832633) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine
PubChem CID63832633
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine
SMILESCC(C)CCS(=O)(=O)N1CCN(CCCCCN)CC1
InChIInChI=1S/C14H31N3O2S/c1-14(2)6-13-20(18,19)17-11-9-16(10-12-17)8-5-3-4-7-15/h14H,3-13,15H2,1-2H3
InChIKeyUWUFSDYJGQHEDZ-UHFFFAOYSA-N
XLogP1.11
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.11
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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Related Compounds

3-[4-(3-methylbutylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63832630
5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 55010115
1-(2-bromoethyl)-4-(3-methylbutylsulfonyl)piperazine
CID 80677198
4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 55010068
4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
CID 83155485
3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 79594001
5-[4-(2-ethoxyethylsulfonyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 63245672
5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine
CID 63190695
6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
CID 67176093
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine (CID 63832633) is 5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine is CC(C)CCS(=O)(=O)N1CCN(CCCCCN)CC1.
What is the InChIKey of 5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is UWUFSDYJGQHEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-14(2)6-13-20(18,19)17-11-9-16(10-12-17)8-5-3-4-7-15/h14H,3-13,15H2,1-2H3.
What are the key properties of 5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine?
5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 305.49 g/mol, XLogP of 1.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 63832633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).