N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine

C12H27NO2S — CID 106729640

IUPACN,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine
SMILESCCCS(=O)(=O)CCC(CNC)CC(C)C
InChIInChI=1S/C12H27NO2S/c1-5-7-16(14,15)8-6-12(10-13-4)9-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyUXNZGWBPJMQUBE-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.08
Rot. Bonds9

About N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine

N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine (PubChem CID 106729640) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine
PubChem CID106729640
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine
SMILESCCCS(=O)(=O)CCC(CNC)CC(C)C
InChIInChI=1S/C12H27NO2S/c1-5-7-16(14,15)8-6-12(10-13-4)9-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyUXNZGWBPJMQUBE-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729620
2-[(4-methoxyphenyl)methyl]-N-methyl-4-propylsulfonylbutan-1-amine
CID 106729723
N-methyl-2-(2-methylpropyl)nonan-1-amine
CID 63496028
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine
CID 62528910
N,4-dimethyl-6-propylsulfonylhexan-2-amine
CID 106732347
4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 103830241
2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine
CID 62528504
2-ethyl-4-propylsulfonylbutan-1-amine
CID 106729541
1-propylsulfonylpropane
CID 11709
N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine
CID 65097386
N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 62529508

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine?
The IUPAC name of N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine (CID 106729640) is N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine?
The canonical SMILES for N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine is CCCS(=O)(=O)CCC(CNC)CC(C)C.
What is the InChIKey of N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine?
The InChIKey is UXNZGWBPJMQUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-5-7-16(14,15)8-6-12(10-13-4)9-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine?
N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine is sourced from PubChem (CID 106729640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).