N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine

C16H27NO2S — CID 106732316

IUPACN-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine
SMILESCCNC(CCCCS(=O)(=O)C(C)C)c1ccccc1
InChIInChI=1S/C16H27NO2S/c1-4-17-16(15-10-6-5-7-11-15)12-8-9-13-20(18,19)14(2)3/h5-7,10-11,14,16-17H,4,8-9,12-13H2,1-3H3
InChIKeyAYKVBZMOUGLNLK-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.33
Rot. Bonds9

About N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine

N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine (PubChem CID 106732316) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine
PubChem CID106732316
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine
SMILESCCNC(CCCCS(=O)(=O)C(C)C)c1ccccc1
InChIInChI=1S/C16H27NO2S/c1-4-17-16(15-10-6-5-7-11-15)12-8-9-13-20(18,19)14(2)3/h5-7,10-11,14,16-17H,4,8-9,12-13H2,1-3H3
InChIKeyAYKVBZMOUGLNLK-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-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

(1-chloro-5-propan-2-ylsulfonylpentyl)benzene
CID 106732517
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759153
2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine
CID 64676326
1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103912531
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627244
N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine
CID 64646605
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
5-ethylsulfonyl-1-phenylpentan-1-ol
CID 65095328
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
N-pentyl-1-phenyldecan-1-amine
CID 10380274

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine?
The IUPAC name of N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine (CID 106732316) is N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine?
The canonical SMILES for N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine is CCNC(CCCCS(=O)(=O)C(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine?
The InChIKey is AYKVBZMOUGLNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-4-17-16(15-10-6-5-7-11-15)12-8-9-13-20(18,19)14(2)3/h5-7,10-11,14,16-17H,4,8-9,12-13H2,1-3H3.
What are the key properties of N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine?
N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine has a molecular weight of 297.46 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine is sourced from PubChem (CID 106732316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).