N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine

C12H15ClN2S — CID 103068619

IUPACN-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CSc1ccc(Cl)cn1
InChIInChI=1S/C12H15ClN2S/c1-9(6-14-11-3-4-11)8-16-12-5-2-10(13)7-15-12/h2,5,7,11,14H,1,3-4,6,8H2
InChIKeyCHZABJFHBZETHR-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.14
Rot. Bonds6

About N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine

N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine (PubChem CID 103068619) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
PubChem CID103068619
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CSc1ccc(Cl)cn1
InChIInChI=1S/C12H15ClN2S/c1-9(6-14-11-3-4-11)8-16-12-5-2-10(13)7-15-12/h2,5,7,11,14H,1,3-4,6,8H2
InChIKeyCHZABJFHBZETHR-UHFFFAOYSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol
CID 64820656
N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
CID 103068085
N-[2-[(4-methylphenyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
CID 103068007
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 112815574
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(3-cyclohexylpropyl)acetamide
CID 112843140
N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine
CID 106534211
5-bromo-2-[2-(chloromethyl)prop-2-enylsulfanyl]pyridine
CID 103066315
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine
CID 104755834
[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581199
1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile
CID 79576047
N-[2-[(5-chloro-2-nitrophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067182
2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79575862

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine (CID 103068619) is N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CSc1ccc(Cl)cn1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine?
The InChIKey is CHZABJFHBZETHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-9(6-14-11-3-4-11)8-16-12-5-2-10(13)7-15-12/h2,5,7,11,14H,1,3-4,6,8H2.
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine?
N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine has a molecular weight of 254.79 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103068619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).