[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine

C14H24N4S — CID 142646076

IUPAC[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine
SMILESCc1c(SCCCN2CCNCC2)ccnc1CN
InChIInChI=1S/C14H24N4S/c1-12-13(11-15)17-4-3-14(12)19-10-2-7-18-8-5-16-6-9-18/h3-4,16H,2,5-11,15H2,1H3
InChIKeyCMFHYSQNLUGZQK-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.24
Rot. Bonds6

About [3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine

[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine (PubChem CID 142646076) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is [3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine
PubChem CID142646076
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine
SMILESCc1c(SCCCN2CCNCC2)ccnc1CN
InChIInChI=1S/C14H24N4S/c1-12-13(11-15)17-4-3-14(12)19-10-2-7-18-8-5-16-6-9-18/h3-4,16H,2,5-11,15H2,1H3
InChIKeyCMFHYSQNLUGZQK-UHFFFAOYSA-N
XLogP1.24
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine
CID 117034526
[3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol
CID 139756453
4-methyl-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine
CID 62268751
3-methyl-4-(4-piperazin-1-ylbutylsulfanyl)phenol
CID 14241699
5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine
CID 163468710
1-[3-(2,5-dichlorophenyl)sulfanylpropyl]piperazine;dihydrochloride
CID 131880724
1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine
CID 141181346
1-(3-methylsulfanylpropyl)piperazine
CID 61057069
1-(3-thiophen-2-ylsulfanylpropyl)piperazine
CID 68783975
N-[[3-methyl-4-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propylsulfanyl]-2-pyridinyl]methyl]quinolin-3-amine
CID 18404210
[1-[3-[[2-(3H-benzimidazol-5-ylsulfanylmethyl)-3-methyl-4-pyridinyl]sulfanyl]propyl]piperidin-4-yl]-phenylmethanone
CID 139767725
1-[2-(5-methyl-2-pyridinyl)ethyl]piperazine
CID 20791668

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine (CID 142646076) is [3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine is Cc1c(SCCCN2CCNCC2)ccnc1CN.
What is the InChIKey of [3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine?
The InChIKey is CMFHYSQNLUGZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-12-13(11-15)17-4-3-14(12)19-10-2-7-18-8-5-16-6-9-18/h3-4,16H,2,5-11,15H2,1H3.
What are the key properties of [3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine?
[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine has a molecular weight of 280.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 142646076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).