4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine

C12H25NO2S — CID 106512843

IUPAC4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H25NO2S/c1-11(2)13-9-5-6-10-16(14,15)12-7-3-4-8-12/h11-13H,3-10H2,1-2H3
InChIKeyVFUJOSQELSYKTB-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.12
Rot. Bonds7

About 4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine

4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine (PubChem CID 106512843) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine
PubChem CID106512843
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H25NO2S/c1-11(2)13-9-5-6-10-16(14,15)12-7-3-4-8-12/h11-13H,3-10H2,1-2H3
InChIKeyVFUJOSQELSYKTB-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.12
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

N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192
N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine
CID 64675839
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040
heptylsulfonylcyclooctane
CID 134525047
undecylsulfonylcyclohexane
CID 151596280
2-cyclopentylsulfonyl-N-methylethanamine
CID 64673517
6-methylsulfonyl-N-propan-2-ylhexan-1-amine
CID 64505621
4-bromobutylsulfonylcyclohexane
CID 60872498
N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106064537
N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine
CID 64676476
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine
CID 106513012
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-propan-2-ylbutan-1-amine
CID 102729039

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine (CID 106512843) is 4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine is CC(C)NCCCCS(=O)(=O)C1CCCC1.
What is the InChIKey of 4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine?
The InChIKey is VFUJOSQELSYKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(2)13-9-5-6-10-16(14,15)12-7-3-4-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine?
4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 106512843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).