3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine

C17H29NO2S — CID 105028458

IUPAC3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H29NO2S/c1-5-12-18-17(13-14(6-2)7-3)15-8-10-16(11-9-15)21(4,19)20/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyOQEFAGKSYNSCMN-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.96
Rot. Bonds9

About 3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine

3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine (PubChem CID 105028458) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine
PubChem CID105028458
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H29NO2S/c1-5-12-18-17(13-14(6-2)7-3)15-8-10-16(11-9-15)21(4,19)20/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyOQEFAGKSYNSCMN-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-ethyl-1-(4-methylsulfonylphenyl)pentyl]hydrazine
CID 105330976
1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028203
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
1-(4-methylsulfonylphenyl)sulfonyl-N-propylpropan-2-amine
CID 64675887
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
CID 82920734
N-[(3-chlorothiophen-2-yl)-(4-methylsulfonylphenyl)methyl]propan-1-amine
CID 80529064
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
CID 60915678
2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine
CID 104986583
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine (CID 105028458) is 3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine?
The InChIKey is OQEFAGKSYNSCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-5-12-18-17(13-14(6-2)7-3)15-8-10-16(11-9-15)21(4,19)20/h8-11,14,17-18H,5-7,12-13H2,1-4H3.
What are the key properties of 3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine?
3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine has a molecular weight of 311.49 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 105028458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).