N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine

C10H15ClN2S — CID 115757397

IUPACN-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1cccnc1Cl
InChIInChI=1S/C10H15ClN2S/c1-8(14-2)6-12-7-9-4-3-5-13-10(9)11/h3-5,8,12H,6-7H2,1-2H3
InChIKeyDRGDTANGUMHABZ-UHFFFAOYSA-N
MW230.76 g/mol
LogP2.58
Rot. Bonds5

About N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine

N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine (PubChem CID 115757397) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
PubChem CID115757397
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1cccnc1Cl
InChIInChI=1S/C10H15ClN2S/c1-8(14-2)6-12-7-9-4-3-5-13-10(9)11/h3-5,8,12H,6-7H2,1-2H3
InChIKeyDRGDTANGUMHABZ-UHFFFAOYSA-N
XLogP2.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639168
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639950
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
CID 83303844
N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757743
N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 115614185
N-[(2-chloro-4-methylphenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 106863169
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757713
N-(1,3-benzodioxol-4-ylmethyl)-2-methylsulfanylpropan-1-amine
CID 115757681
2-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 113320318
N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine
CID 115656031

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine (CID 115757397) is N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine is CSC(C)CNCc1cccnc1Cl.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is DRGDTANGUMHABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-8(14-2)6-12-7-9-4-3-5-13-10(9)11/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine?
N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine has a molecular weight of 230.76 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115757397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).