N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine

C15H25NO2S — CID 115846387

IUPACN-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
SMILESCCNC(CC(C)CC)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H25NO2S/c1-5-12(3)10-15(16-6-2)13-8-7-9-14(11-13)19(4,17)18/h7-9,11-12,15-16H,5-6,10H2,1-4H3
InChIKeySQYJOYHKKTWBDR-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.18
Rot. Bonds7

About N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine

N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine (PubChem CID 115846387) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
PubChem CID115846387
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
SMILESCCNC(CC(C)CC)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H25NO2S/c1-5-12(3)10-15(16-6-2)13-8-7-9-14(11-13)19(4,17)18/h7-9,11-12,15-16H,5-6,10H2,1-4H3
InChIKeySQYJOYHKKTWBDR-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115782739
N-ethyl-4-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115834610
N-ethyl-4-methylsulfonyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115820906
N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine
CID 115846379
1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
CID 63412580
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715
N-ethyl-1-(3-methylsulfonylphenyl)hex-5-yn-1-amine
CID 105034083
2-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 105017402
N-(5-methylheptan-3-yl)-3-methylsulfonylaniline
CID 54861663
N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60873037
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
1-(difluoromethyl)-3-methylsulfonylbenzene
CID 154791321

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine (CID 115846387) is N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine is CCNC(CC(C)CC)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine?
The InChIKey is SQYJOYHKKTWBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-12(3)10-15(16-6-2)13-8-7-9-14(11-13)19(4,17)18/h7-9,11-12,15-16H,5-6,10H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine?
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine is sourced from PubChem (CID 115846387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).