N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine

C15H21ClN2O2S — CID 107091372

IUPACN-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
SMILESCC1CCN(S(=O)(=O)c2ccc(CNC3CC3)c(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O2S/c1-11-6-7-18(10-11)21(19,20)14-5-2-12(15(16)8-14)9-17-13-3-4-13/h2,5,8,11,13,17H,3-4,6-7,9-10H2,1H3
InChIKeyZKXYMMZYSGDODM-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.62
Rot. Bonds5

About N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine

N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine (PubChem CID 107091372) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
PubChem CID107091372
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC NameN-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
SMILESCC1CCN(S(=O)(=O)c2ccc(CNC3CC3)c(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O2S/c1-11-6-7-18(10-11)21(19,20)14-5-2-12(15(16)8-14)9-17-13-3-4-13/h2,5,8,11,13,17H,3-4,6-7,9-10H2,1H3
InChIKeyZKXYMMZYSGDODM-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
CID 107091138
N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
CID 107091179
[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 106919216
1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 107091546
3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide
CID 107091304
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-4-ethylpiperidine
CID 107091042
2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 64608977
N-[[4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 61227035
1-[2-chloro-3-fluoro-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 81457130
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine (CID 107091372) is N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine is CC1CCN(S(=O)(=O)c2ccc(CNC3CC3)c(Cl)c2)C1.
What is the InChIKey of N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine?
The InChIKey is ZKXYMMZYSGDODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-11-6-7-18(10-11)21(19,20)14-5-2-12(15(16)8-14)9-17-13-3-4-13/h2,5,8,11,13,17H,3-4,6-7,9-10H2,1H3.
What are the key properties of N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine?
N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine has a molecular weight of 328.87 g/mol, XLogP of 2.62, 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-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107091372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).