N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine

C10H20N4S — CID 105182268

IUPACN-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCn1nncc1C(CCSC)NC
InChIInChI=1S/C10H20N4S/c1-4-6-14-10(8-12-13-14)9(11-2)5-7-15-3/h8-9,11H,4-7H2,1-3H3
InChIKeyFBBQASOLNDFDHW-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.70
Rot. Bonds7

About N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine

N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine (PubChem CID 105182268) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
PubChem CID105182268
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCn1nncc1C(CCSC)NC
InChIInChI=1S/C10H20N4S/c1-4-6-14-10(8-12-13-14)9(11-2)5-7-15-3/h8-9,11H,4-7H2,1-3H3
InChIKeyFBBQASOLNDFDHW-UHFFFAOYSA-N
XLogP1.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560
3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182293
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 105038662
2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687105
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687384
N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 105103970
2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038787
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688232
2-(2,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687846
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The IUPAC name of N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine (CID 105182268) is N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine is CCCn1nncc1C(CCSC)NC.
What is the InChIKey of N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The InChIKey is FBBQASOLNDFDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-4-6-14-10(8-12-13-14)9(11-2)5-7-15-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine?
N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 105182268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).