2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine

C17H29NO2S — CID 107759149

IUPAC2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)S(=O)(=O)C(C)C(C)C
InChIInChI=1S/C17H29NO2S/c1-6-12-18-17(16-10-8-7-9-11-16)15(5)21(19,20)14(4)13(2)3/h7-11,13-15,17-18H,6,12H2,1-5H3
InChIKeyODUMFHXOQDFPTR-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.58
Rot. Bonds8

About 2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine

2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine (PubChem CID 107759149) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
PubChem CID107759149
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)S(=O)(=O)C(C)C(C)C
InChIInChI=1S/C17H29NO2S/c1-6-12-18-17(16-10-8-7-9-11-16)15(5)21(19,20)14(4)13(2)3/h7-11,13-15,17-18H,6,12H2,1-5H3
InChIKeyODUMFHXOQDFPTR-UHFFFAOYSA-N
XLogP3.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
CID 55112331
5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
CID 104845545
3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814691
2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64652134
2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine
CID 64676326
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
2-butan-2-ylsulfanyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64613003
2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 64647568
3-methyl-2-pentylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107763049
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
CID 64610486

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine (CID 107759149) is 2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine is CCCNC(c1ccccc1)C(C)S(=O)(=O)C(C)C(C)C.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine?
The InChIKey is ODUMFHXOQDFPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-6-12-18-17(16-10-8-7-9-11-16)15(5)21(19,20)14(4)13(2)3/h7-11,13-15,17-18H,6,12H2,1-5H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine?
2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine has a molecular weight of 311.49 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 107759149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).