5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine

C17H29NO2S — CID 104845545

IUPAC5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccccc1)C(C)CCCS(=O)(=O)CC
InChIInChI=1S/C17H29NO2S/c1-4-13-18-17(16-11-7-6-8-12-16)15(3)10-9-14-21(19,20)5-2/h6-8,11-12,15,17-18H,4-5,9-10,13-14H2,1-3H3
InChIKeyVWOWSDIRQCLFRA-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.58
Rot. Bonds10

About 5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine

5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine (PubChem CID 104845545) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
PubChem CID104845545
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccccc1)C(C)CCCS(=O)(=O)CC
InChIInChI=1S/C17H29NO2S/c1-4-13-18-17(16-11-7-6-8-12-16)15(3)10-9-14-21(19,20)5-2/h6-8,11-12,15,17-18H,4-5,9-10,13-14H2,1-3H3
InChIKeyVWOWSDIRQCLFRA-UHFFFAOYSA-N
XLogP3.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
CID 107759149
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
CID 55112331
N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine
CID 104845309
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine
CID 114246234
4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
CID 65095394
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
5-(benzenesulfonyl)-N-propylpentan-2-amine
CID 62916866
2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine
CID 106735539
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine (CID 104845545) is 5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine is CCCNC(c1ccccc1)C(C)CCCS(=O)(=O)CC.
What is the InChIKey of 5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine?
The InChIKey is VWOWSDIRQCLFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-4-13-18-17(16-11-7-6-8-12-16)15(3)10-9-14-21(19,20)5-2/h6-8,11-12,15,17-18H,4-5,9-10,13-14H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine?
5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine has a molecular weight of 311.49 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine is sourced from PubChem (CID 104845545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).