N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine

C14H19ClN2O2S — CID 107091138

IUPACN-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
SMILESO=S(=O)(c1ccc(CNC2CC2)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H19ClN2O2S/c15-14-9-13(20(18,19)17-7-1-2-8-17)6-3-11(14)10-16-12-4-5-12/h3,6,9,12,16H,1-2,4-5,7-8,10H2
InChIKeyRFZFTZQZRGMJST-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.38
Rot. Bonds5

About N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine

N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine (PubChem CID 107091138) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
PubChem CID107091138
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC NameN-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
SMILESO=S(=O)(c1ccc(CNC2CC2)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H19ClN2O2S/c15-14-9-13(20(18,19)17-7-1-2-8-17)6-3-11(14)10-16-12-4-5-12/h3,6,9,12,16H,1-2,4-5,7-8,10H2
InChIKeyRFZFTZQZRGMJST-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)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-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
CID 107091179
N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 107091372
3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide
CID 107091304
N-[(4-amino-2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 75458445
1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 107091277
1-[2-chloro-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317216
4-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-1,4-thiazepane
CID 107091043
1-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-4-ethylpiperidine
CID 107091042
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine
CID 75414784
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol
CID 107090687
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 1456805

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine (CID 107091138) is N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine is O=S(=O)(c1ccc(CNC2CC2)c(Cl)c1)N1CCCC1.
What is the InChIKey of N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine?
The InChIKey is RFZFTZQZRGMJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c15-14-9-13(20(18,19)17-7-1-2-8-17)6-3-11(14)10-16-12-4-5-12/h3,6,9,12,16H,1-2,4-5,7-8,10H2.
What are the key properties of N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine?
N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine has a molecular weight of 314.84 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 107091138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).