1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine

C11H25NO2S — CID 107760352

IUPAC1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine
SMILESCCCNC(C)CS(=O)(=O)CCC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-7-12-11(4)9-15(13,14)8-6-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyKPVUUQUCBNEMQG-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About 1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine

1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine (PubChem CID 107760352) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine
PubChem CID107760352
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine
SMILESCCCNC(C)CS(=O)(=O)CCC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-7-12-11(4)9-15(13,14)8-6-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyKPVUUQUCBNEMQG-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine
CID 106732355
N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
N-[2-(3-methylbutylsulfonyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107760339
N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
CID 63926903
7-ethylsulfonyl-N-propylheptan-2-amine
CID 65096990
1-benzylsulfonyl-N-propylpropan-2-amine
CID 64645364
3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
CID 115900563
N-methyl-1-pentylsulfonylpropan-2-amine
CID 107758535
1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine
CID 115901521
1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine
CID 64647016
4-(3-methylbutan-2-ylsulfonyl)-N-propylbutan-2-amine
CID 107759127
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine (CID 107760352) is 1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine is CCCNC(C)CS(=O)(=O)CCC(C)C.
What is the InChIKey of 1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine?
The InChIKey is KPVUUQUCBNEMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-7-12-11(4)9-15(13,14)8-6-10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine?
1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine is sourced from PubChem (CID 107760352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).