N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide

C14H21BrN2O2S — CID 119499048

IUPACN-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide
SMILESCC(N)CCNC(=O)CCCS(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2S/c1-11(16)8-9-17-14(18)3-2-10-20(19)13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10,16H2,1H3,(H,17,18)
InChIKeySBDNQWQTEIPUDI-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.19
Rot. Bonds8

About N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide

N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide (PubChem CID 119499048) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide
PubChem CID119499048
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC NameN-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide
SMILESCC(N)CCNC(=O)CCCS(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2S/c1-11(16)8-9-17-14(18)3-2-10-20(19)13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10,16H2,1H3,(H,17,18)
InChIKeySBDNQWQTEIPUDI-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide 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

N-(2-aminoethyl)-4-(4-bromophenyl)sulfinylbutanamide
CID 119385098
5-(4-bromophenyl)sulfinylpentan-2-amine
CID 64653239
4-[4-(4-bromophenyl)sulfinylbutanoylamino]butanoic acid
CID 119170548
N-(3-aminobutyl)-4-(4-bromophenyl)sulfanylbutanamide
CID 119496503
4-[(S)-(4-bromophenyl)sulfinyl]-N-[(2R)-butan-2-yl]butanamide
CID 95323144
N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119498486
4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 86937446
3-(4-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64652409
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-[3-(aminomethyl)pentan-3-yl]-4-(4-bromophenyl)sulfinylbutanamide;hydrochloride
CID 119571593
4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide
CID 95323115
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide?
The IUPAC name of N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide (CID 119499048) is N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide.
What is the SMILES notation for N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide?
The canonical SMILES for N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide is CC(N)CCNC(=O)CCCS(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide?
The InChIKey is SBDNQWQTEIPUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-11(16)8-9-17-14(18)3-2-10-20(19)13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10,16H2,1H3,(H,17,18).
What are the key properties of N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide?
N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide has a molecular weight of 361.31 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide is sourced from PubChem (CID 119499048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).