N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine

C16H18N2O2S — CID 175646911

IUPACN-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCS(=O)(=O)c1ccc(-c2ccc(CNC3CC3)cn2)cc1
InChIInChI=1S/C16H18N2O2S/c1-21(19,20)15-7-3-13(4-8-15)16-9-2-12(11-18-16)10-17-14-5-6-14/h2-4,7-9,11,14,17H,5-6,10H2,1H3
InChIKeyCLFVXXPEJVBLFI-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.40
Rot. Bonds5

About N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 175646911) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID175646911
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCS(=O)(=O)c1ccc(-c2ccc(CNC3CC3)cn2)cc1
InChIInChI=1S/C16H18N2O2S/c1-21(19,20)15-7-3-13(4-8-15)16-9-2-12(11-18-16)10-17-14-5-6-14/h2-4,7-9,11,14,17H,5-6,10H2,1H3
InChIKeyCLFVXXPEJVBLFI-UHFFFAOYSA-N
XLogP2.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methylamino]piperidine-1-carboxylate
CID 25101393
5-(chloromethyl)-2-(4-methylsulfonylphenyl)pyridine
CID 146419326
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60841056
3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
CID 79461145
N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine
CID 155399172
N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 116633398
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
6-(4-methylsulfonylphenyl)pyridine-3-carbaldehyde
CID 57353945
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
1-N-[(4-methylsulfonylphenyl)methyl]cyclobutane-1,3-diamine
CID 80560489
N-[2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182106
N-[[1-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62763500

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine (CID 175646911) is N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine is CS(=O)(=O)c1ccc(-c2ccc(CNC3CC3)cn2)cc1.
What is the InChIKey of N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is CLFVXXPEJVBLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-21(19,20)15-7-3-13(4-8-15)16-9-2-12(11-18-16)10-17-14-5-6-14/h2-4,7-9,11,14,17H,5-6,10H2,1H3.
What are the key properties of N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 302.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 175646911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).