5-(3-methylbutylsulfonyl)pentan-1-amine

C10H23NO2S — CID 107767380

IUPAC5-(3-methylbutylsulfonyl)pentan-1-amine
SMILESCC(C)CCS(=O)(=O)CCCCCN
InChIInChI=1S/C10H23NO2S/c1-10(2)6-9-14(12,13)8-5-3-4-7-11/h10H,3-9,11H2,1-2H3
InChIKeyPXAZCNYKKLTDBF-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.58
Rot. Bonds8

About 5-(3-methylbutylsulfonyl)pentan-1-amine

5-(3-methylbutylsulfonyl)pentan-1-amine (PubChem CID 107767380) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 5-(3-methylbutylsulfonyl)pentan-1-amine.

Molecular Properties

Compound Name5-(3-methylbutylsulfonyl)pentan-1-amine
PubChem CID107767380
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name5-(3-methylbutylsulfonyl)pentan-1-amine
SMILESCC(C)CCS(=O)(=O)CCCCCN
InChIInChI=1S/C10H23NO2S/c1-10(2)6-9-14(12,13)8-5-3-4-7-11/h10H,3-9,11H2,1-2H3
InChIKeyPXAZCNYKKLTDBF-UHFFFAOYSA-N
XLogP1.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbutylsulfonyl)propan-1-amine
CID 59317374
5-ethylsulfonylpentan-1-amine
CID 54172156
6-methylheptan-1-amine;8-methylnonane-1-sulfonic acid
CID 175529439
5-butylsulfonylpentan-1-amine
CID 64698649
36-methylheptatriacontan-1-amine
CID 134324173
3-(5-aminopentylsulfonyl)propan-1-ol
CID 170915360
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
1-[5-(3-methylbutylsulfonyl)pentyl]piperidine
CID 18965255
5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
CID 170915824
3-(3-methylbutylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757850
4-decylsulfonylbutan-2-amine
CID 81195492

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylsulfonyl)pentan-1-amine?
The IUPAC name of 5-(3-methylbutylsulfonyl)pentan-1-amine (CID 107767380) is 5-(3-methylbutylsulfonyl)pentan-1-amine.
What is the SMILES notation for 5-(3-methylbutylsulfonyl)pentan-1-amine?
The canonical SMILES for 5-(3-methylbutylsulfonyl)pentan-1-amine is CC(C)CCS(=O)(=O)CCCCCN.
What is the InChIKey of 5-(3-methylbutylsulfonyl)pentan-1-amine?
The InChIKey is PXAZCNYKKLTDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-10(2)6-9-14(12,13)8-5-3-4-7-11/h10H,3-9,11H2,1-2H3.
What are the key properties of 5-(3-methylbutylsulfonyl)pentan-1-amine?
5-(3-methylbutylsulfonyl)pentan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutylsulfonyl)pentan-1-amine is sourced from PubChem (CID 107767380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).