2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine

C16H26ClNO2S — CID 79436264

IUPAC2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
SMILESCCCNCC(CCCS(=O)(=O)CC)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO2S/c1-3-11-18-13-14(8-7-12-21(19,20)4-2)15-9-5-6-10-16(15)17/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyKYBNYSGUVGBAEV-UHFFFAOYSA-N
MW331.91 g/mol
LogP3.64
Rot. Bonds10

About 2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine

2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine (PubChem CID 79436264) has the molecular formula C16H26ClNO2S and a molecular weight of 331.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
PubChem CID79436264
Molecular FormulaC16H26ClNO2S
Molecular Weight331.91 g/mol
Exact Mass331.14
IUPAC Name2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
SMILESCCCNCC(CCCS(=O)(=O)CC)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO2S/c1-3-11-18-13-14(8-7-12-21(19,20)4-2)15-9-5-6-10-16(15)17/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyKYBNYSGUVGBAEV-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.91
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79448818
2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine
CID 79436256
2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine
CID 106735539
N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
CID 79421716
2-(2-chlorophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79449274
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79436263
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 79449341
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
CID 79449139
3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine
CID 79436032
2-(2-methylphenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730104
5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65430810

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine (CID 79436264) is 2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine is CCCNCC(CCCS(=O)(=O)CC)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine?
The InChIKey is KYBNYSGUVGBAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2S/c1-3-11-18-13-14(8-7-12-21(19,20)4-2)15-9-5-6-10-16(15)17/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine?
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine has a molecular weight of 331.91 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine is sourced from PubChem (CID 79436264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).