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

C15H21ClN2O2S — CID 107091179

IUPACN-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
SMILESO=S(=O)(c1ccc(CNC2CC2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C15H21ClN2O2S/c16-15-10-14(7-4-12(15)11-17-13-5-6-13)21(19,20)18-8-2-1-3-9-18/h4,7,10,13,17H,1-3,5-6,8-9,11H2
InChIKeyWEGFRYSPGHRXFC-UHFFFAOYSA-N
MW328.86 g/mol
LogP2.77
Rot. Bonds5

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

N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine (PubChem CID 107091179) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.86 g/mol. Its IUPAC name is N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
PubChem CID107091179
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.86 g/mol
Exact Mass328.10
IUPAC NameN-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
SMILESO=S(=O)(c1ccc(CNC2CC2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C15H21ClN2O2S/c16-15-10-14(7-4-12(15)11-17-13-5-6-13)21(19,20)18-8-2-1-3-9-18/h4,7,10,13,17H,1-3,5-6,8-9,11H2
InChIKeyWEGFRYSPGHRXFC-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 52.77
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-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 107091372
3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide
CID 107091304
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine
CID 75414784
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
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine (CID 107091179) is N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine is O=S(=O)(c1ccc(CNC2CC2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine?
The InChIKey is WEGFRYSPGHRXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c16-15-10-14(7-4-12(15)11-17-13-5-6-13)21(19,20)18-8-2-1-3-9-18/h4,7,10,13,17H,1-3,5-6,8-9,11H2.
What are the key properties of N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine?
N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine has a molecular weight of 328.86 g/mol, XLogP of 2.77, 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-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 107091179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).