2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine

C17H29NO2S — CID 63192548

IUPAC2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C)(C)c1ccccc1
InChIInChI=1S/C17H29NO2S/c1-5-13-18-16(12-9-14-21(4,19)20)17(2,3)15-10-7-6-8-11-15/h6-8,10-11,16,18H,5,9,12-14H2,1-4H3
InChIKeyYXNQJTJLLOJHBG-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.16
Rot. Bonds9

About 2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine

2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine (PubChem CID 63192548) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine
PubChem CID63192548
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C)(C)c1ccccc1
InChIInChI=1S/C17H29NO2S/c1-5-13-18-16(12-9-14-21(4,19)20)17(2,3)15-10-7-6-8-11-15/h6-8,10-11,16,18H,5,9,12-14H2,1-4H3
InChIKeyYXNQJTJLLOJHBG-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
CID 83162206
N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine
CID 64770135
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227
2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 116727096
1-(2-ethylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820254
2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine
CID 79045743
4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol
CID 55180745
1-(2-bromo-6-fluorophenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 114887337
(2-methyl-2-phenylhexan-3-yl)hydrazine
CID 105216295
2,4-dimethyl-2-phenyl-N-propylhexan-3-amine
CID 79446921
5-(benzenesulfonyl)-N-propylpentan-2-amine
CID 62916866
1-(2-chloro-3-methylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820969

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine?
The IUPAC name of 2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine (CID 63192548) is 2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine.
What is the SMILES notation for 2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine?
The canonical SMILES for 2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine is CCCNC(CCCS(C)(=O)=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine?
The InChIKey is YXNQJTJLLOJHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-5-13-18-16(12-9-14-21(4,19)20)17(2,3)15-10-7-6-8-11-15/h6-8,10-11,16,18H,5,9,12-14H2,1-4H3.
What are the key properties of 2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine?
2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine has a molecular weight of 311.49 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine is sourced from PubChem (CID 63192548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).