N-methyl-1,3-bis(methylsulfanyl)propan-2-amine

C6H15NS2 — CID 100935069

IUPACN-methyl-1,3-bis(methylsulfanyl)propan-2-amine
SMILESCNC(CSC)CSC
InChIInChI=1S/C6H15NS2/c1-7-6(4-8-2)5-9-3/h6-7H,4-5H2,1-3H3
InChIKeyDNPUATAKDSLDGI-UHFFFAOYSA-N
MW165.33 g/mol
LogP1.30
Rot. Bonds5

About N-methyl-1,3-bis(methylsulfanyl)propan-2-amine

N-methyl-1,3-bis(methylsulfanyl)propan-2-amine (PubChem CID 100935069) has the molecular formula C6H15NS2 and a molecular weight of 165.33 g/mol. Its IUPAC name is N-methyl-1,3-bis(methylsulfanyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1,3-bis(methylsulfanyl)propan-2-amine
PubChem CID100935069
Molecular FormulaC6H15NS2
Molecular Weight165.33 g/mol
Exact Mass165.06
IUPAC NameN-methyl-1,3-bis(methylsulfanyl)propan-2-amine
SMILESCNC(CSC)CSC
InChIInChI=1S/C6H15NS2/c1-7-6(4-8-2)5-9-3/h6-7H,4-5H2,1-3H3
InChIKeyDNPUATAKDSLDGI-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 105406084
1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692778
N-methyl-1-methylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 62694241
2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 62065687
1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692992
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 103039975
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
2-(ethylamino)-3-methylsulfanylpropan-1-ol
CID 64806015
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
2-N-methylpropane-1,2,3-triamine
CID 22619064

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-bis(methylsulfanyl)propan-2-amine?
The IUPAC name of N-methyl-1,3-bis(methylsulfanyl)propan-2-amine (CID 100935069) is N-methyl-1,3-bis(methylsulfanyl)propan-2-amine.
What is the SMILES notation for N-methyl-1,3-bis(methylsulfanyl)propan-2-amine?
The canonical SMILES for N-methyl-1,3-bis(methylsulfanyl)propan-2-amine is CNC(CSC)CSC.
What is the InChIKey of N-methyl-1,3-bis(methylsulfanyl)propan-2-amine?
The InChIKey is DNPUATAKDSLDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS2/c1-7-6(4-8-2)5-9-3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-methyl-1,3-bis(methylsulfanyl)propan-2-amine?
N-methyl-1,3-bis(methylsulfanyl)propan-2-amine has a molecular weight of 165.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-bis(methylsulfanyl)propan-2-amine is sourced from PubChem (CID 100935069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).