4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline

C16H26N2O2S — CID 63626359

IUPAC4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline
SMILESCCCNc1ccc(S(=O)(=O)N2CCCC(C)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-11-17-15-6-8-16(9-7-15)21(19,20)18-12-4-5-14(2)10-13-18/h6-9,14,17H,3-5,10-13H2,1-2H3
InChIKeyBSZSGSKMKAZNHL-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.32
Rot. Bonds5

About 4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline

4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline (PubChem CID 63626359) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline.

Molecular Properties

Compound Name4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline
PubChem CID63626359
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline
SMILESCCCNc1ccc(S(=O)(=O)N2CCCC(C)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-11-17-15-6-8-16(9-7-15)21(19,20)18-12-4-5-14(2)10-13-18/h6-9,14,17H,3-5,10-13H2,1-2H3
InChIKeyBSZSGSKMKAZNHL-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol
CID 62144901
4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline
CID 62148455
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828288
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide
CID 19684397
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825380
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline?
The IUPAC name of 4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline (CID 63626359) is 4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline.
What is the SMILES notation for 4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline?
The canonical SMILES for 4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline is CCCNc1ccc(S(=O)(=O)N2CCCC(C)CC2)cc1.
What is the InChIKey of 4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline?
The InChIKey is BSZSGSKMKAZNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-11-17-15-6-8-16(9-7-15)21(19,20)18-12-4-5-14(2)10-13-18/h6-9,14,17H,3-5,10-13H2,1-2H3.
What are the key properties of 4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline?
4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline has a molecular weight of 310.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline is sourced from PubChem (CID 63626359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).