N-(5-methylheptan-3-yl)-3-methylsulfonylaniline

C15H25NO2S — CID 54861663

IUPACN-(5-methylheptan-3-yl)-3-methylsulfonylaniline
SMILESCCC(C)CC(CC)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H25NO2S/c1-5-12(3)10-13(6-2)16-14-8-7-9-15(11-14)19(4,17)18/h7-9,11-13,16H,5-6,10H2,1-4H3
InChIKeyHWGZPDWWVIALKX-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.72
Rot. Bonds7

About N-(5-methylheptan-3-yl)-3-methylsulfonylaniline

N-(5-methylheptan-3-yl)-3-methylsulfonylaniline (PubChem CID 54861663) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-3-methylsulfonylaniline.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-3-methylsulfonylaniline
PubChem CID54861663
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(5-methylheptan-3-yl)-3-methylsulfonylaniline
SMILESCCC(C)CC(CC)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H25NO2S/c1-5-12(3)10-13(6-2)16-14-8-7-9-15(11-14)19(4,17)18/h7-9,11-13,16H,5-6,10H2,1-4H3
InChIKeyHWGZPDWWVIALKX-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutyl)-3-methylsulfonylaniline
CID 60924452
N-(5-methylheptan-3-yl)-3-propan-2-ylaniline
CID 43097145
N-(5-methylheptan-3-yl)-2-methylsulfonylaniline
CID 43724656
3-ethynyl-N-(5-methylheptan-3-yl)aniline
CID 43106510
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115846387
3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide
CID 43693956
N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43742528
2-[1-(3-methylsulfonylanilino)ethyl]benzene-1,3-diol
CID 107710778
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406
N-(dicyclopropylmethyl)-3-methylsulfonylaniline
CID 54861516
N-(5-methylheptan-3-yl)-4-phenylaniline
CID 43716868
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894

Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-3-methylsulfonylaniline?
The IUPAC name of N-(5-methylheptan-3-yl)-3-methylsulfonylaniline (CID 54861663) is N-(5-methylheptan-3-yl)-3-methylsulfonylaniline.
What is the SMILES notation for N-(5-methylheptan-3-yl)-3-methylsulfonylaniline?
The canonical SMILES for N-(5-methylheptan-3-yl)-3-methylsulfonylaniline is CCC(C)CC(CC)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(5-methylheptan-3-yl)-3-methylsulfonylaniline?
The InChIKey is HWGZPDWWVIALKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-12(3)10-13(6-2)16-14-8-7-9-15(11-14)19(4,17)18/h7-9,11-13,16H,5-6,10H2,1-4H3.
What are the key properties of N-(5-methylheptan-3-yl)-3-methylsulfonylaniline?
N-(5-methylheptan-3-yl)-3-methylsulfonylaniline has a molecular weight of 283.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-3-methylsulfonylaniline is sourced from PubChem (CID 54861663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).