N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine

C17H29NO2S — CID 64645191

IUPACN-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)CC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO2S/c1-5-11-18-17(13-21(19,20)6-2)16-9-7-15(8-10-16)12-14(3)4/h7-10,14,17-18H,5-6,11-13H2,1-4H3
InChIKeyUCVBGMXHTFHHHX-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.36
Rot. Bonds9

About N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine

N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine (PubChem CID 64645191) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
PubChem CID64645191
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC NameN-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)CC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO2S/c1-5-11-18-17(13-21(19,20)6-2)16-9-7-15(8-10-16)12-14(3)4/h7-10,14,17-18H,5-6,11-13H2,1-4H3
InChIKeyUCVBGMXHTFHHHX-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine
CID 63466904
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
N-[1-(3,4-dimethylphenyl)-2-propylsulfonylethyl]propan-1-amine
CID 64646093
N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine
CID 64645122
1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine
CID 82262358
4-[2-(propylamino)propyl]benzenesulfonamide
CID 55219921
2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine
CID 64674358
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
CID 97053957
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
CID 43400934
N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 63474903
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594

Frequently Asked Questions

What is the IUPAC name of N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine (CID 64645191) is N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine is CCCNC(CS(=O)(=O)CC)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine?
The InChIKey is UCVBGMXHTFHHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-5-11-18-17(13-21(19,20)6-2)16-9-7-15(8-10-16)12-14(3)4/h7-10,14,17-18H,5-6,11-13H2,1-4H3.
What are the key properties of N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine?
N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine has a molecular weight of 311.49 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 64645191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).