N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine

C12H27NO2S — CID 106732243

IUPACN-(2-methylpropyl)-5-propylsulfonylpentan-1-amine
SMILESCCCS(=O)(=O)CCCCCNCC(C)C
InChIInChI=1S/C12H27NO2S/c1-4-9-16(14,15)10-7-5-6-8-13-11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyDFWBNUTWRZLDDX-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.23
Rot. Bonds10

About N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine

N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine (PubChem CID 106732243) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-propylsulfonylpentan-1-amine
PubChem CID106732243
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-(2-methylpropyl)-5-propylsulfonylpentan-1-amine
SMILESCCCS(=O)(=O)CCCCCNCC(C)C
InChIInChI=1S/C12H27NO2S/c1-4-9-16(14,15)10-7-5-6-8-13-11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyDFWBNUTWRZLDDX-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.23
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-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
CID 64675618
N-[2-(2-methylpropylsulfonyl)ethyl]hexan-1-amine
CID 106512908
N-[3-(2-methylpropylamino)propyl]ethanesulfonamide
CID 115876188
N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
CID 62421601
N-(2-butylsulfonylethyl)-4-methylpentan-1-amine
CID 106512538
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
4-(2-methylbutylsulfonyl)-N-propylbutan-1-amine
CID 107757626
2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106723768
6-methylsulfanyl-N-(2-propylsulfonylethyl)hexan-1-amine
CID 114125695
2-methyl-N-propylpropan-1-amine
CID 520943

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine (CID 106732243) is N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine is CCCS(=O)(=O)CCCCCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine?
The InChIKey is DFWBNUTWRZLDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-4-9-16(14,15)10-7-5-6-8-13-11-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine?
N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine is sourced from PubChem (CID 106732243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).