2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine

C11H20N2S2 — CID 60811268

IUPAC2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
SMILESCSCCC(CN)N(C)Cc1ccsc1
InChIInChI=1S/C11H20N2S2/c1-13(8-10-3-6-15-9-10)11(7-12)4-5-14-2/h3,6,9,11H,4-5,7-8,12H2,1-2H3
InChIKeyNFWSYDRULYTGGR-UHFFFAOYSA-N
MW244.43 g/mol
LogP2.26
Rot. Bonds7

About 2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine

2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine (PubChem CID 60811268) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is 2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
PubChem CID60811268
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
SMILESCSCCC(CN)N(C)Cc1ccsc1
InChIInChI=1S/C11H20N2S2/c1-13(8-10-3-6-15-9-10)11(7-12)4-5-14-2/h3,6,9,11H,4-5,7-8,12H2,1-2H3
InChIKeyNFWSYDRULYTGGR-UHFFFAOYSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine
CID 62949476
4,4-dimethoxy-2-N-methyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 66269559
2-N-methyl-2-N-[(4-methylphenyl)methyl]-5-methylsulfanylpentane-1,2-diamine
CID 103088584
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 61412209
N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528085
1-(3,4-dimethylphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43753496
1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528156
N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 43528245
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
CID 60670408
1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421195
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine (CID 60811268) is 2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine is CSCCC(CN)N(C)Cc1ccsc1.
What is the InChIKey of 2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine?
The InChIKey is NFWSYDRULYTGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-13(8-10-3-6-15-9-10)11(7-12)4-5-14-2/h3,6,9,11H,4-5,7-8,12H2,1-2H3.
What are the key properties of 2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine?
2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine has a molecular weight of 244.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 60811268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).