1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine

C12H27NO2S — CID 64647016

IUPAC1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)(=O)CC(C)C
InChIInChI=1S/C12H27NO2S/c1-5-7-12(13-8-6-2)10-16(14,15)9-11(3)4/h11-13H,5-10H2,1-4H3
InChIKeyXYOHUOGJDKRRGE-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.23
Rot. Bonds9

About 1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine

1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine (PubChem CID 64647016) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine
PubChem CID64647016
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)(=O)CC(C)C
InChIInChI=1S/C12H27NO2S/c1-5-7-12(13-8-6-2)10-16(14,15)9-11(3)4/h11-13H,5-10H2,1-4H3
InChIKeyXYOHUOGJDKRRGE-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(propylamino)pentylsulfonyl]acetate
CID 64674787
4-methyl-1-methylsulfonyl-N-propylheptan-2-amine
CID 115601883
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine
CID 107760352
1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine
CID 64674005
4-(2-methylpropylsulfonyl)heptane
CID 142872374
1-propan-2-ylsulfinyl-N-propylpentan-2-amine
CID 64655390
1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 62041625
1-tert-butylsulfonyl-N-propylheptan-4-amine
CID 106727136
1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
CID 107508592
3-N-propylhexane-1,3-diamine
CID 88724695
2-(heptan-4-ylamino)ethanesulfonamide
CID 43551797

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine?
The IUPAC name of 1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine (CID 64647016) is 1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine is CCCNC(CCC)CS(=O)(=O)CC(C)C.
What is the InChIKey of 1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine?
The InChIKey is XYOHUOGJDKRRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-5-7-12(13-8-6-2)10-16(14,15)9-11(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine?
1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine is sourced from PubChem (CID 64647016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).