N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine

C16H24N2O2S — CID 79178519

IUPACN-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
SMILESCC1CN(S(=O)(=O)c2ccc(CNC3CC3)cc2)CC1C
InChIInChI=1S/C16H24N2O2S/c1-12-10-18(11-13(12)2)21(19,20)16-7-3-14(4-8-16)9-17-15-5-6-15/h3-4,7-8,12-13,15,17H,5-6,9-11H2,1-2H3
InChIKeyDRHNXUBHWAZTJK-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.22
Rot. Bonds5

About N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine

N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine (PubChem CID 79178519) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
PubChem CID79178519
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
SMILESCC1CN(S(=O)(=O)c2ccc(CNC3CC3)cc2)CC1C
InChIInChI=1S/C16H24N2O2S/c1-12-10-18(11-13(12)2)21(19,20)16-7-3-14(4-8-16)9-17-15-5-6-15/h3-4,7-8,12-13,15,17H,5-6,9-11H2,1-2H3
InChIKeyDRHNXUBHWAZTJK-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine 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-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 79180625
1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
CID 61435583
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139
1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 70168461
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60824035
N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine
CID 79180236
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102754268
3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
CID 79461145
N-[[4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 61227035
2-[4-(3,4-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 115872304

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine (CID 79178519) is N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine is CC1CN(S(=O)(=O)c2ccc(CNC3CC3)cc2)CC1C.
What is the InChIKey of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine?
The InChIKey is DRHNXUBHWAZTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-10-18(11-13(12)2)21(19,20)16-7-3-14(4-8-16)9-17-15-5-6-15/h3-4,7-8,12-13,15,17H,5-6,9-11H2,1-2H3.
What are the key properties of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine?
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine has a molecular weight of 308.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 79178519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).