2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine

C11H26N2S2 — CID 112658412

IUPAC2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
SMILESCCC(CSC)N(C)C(CN)CCSC
InChIInChI=1S/C11H26N2S2/c1-5-10(9-15-4)13(2)11(8-12)6-7-14-3/h10-11H,5-9,12H2,1-4H3
InChIKeyQWKXSLKXTRSKQG-UHFFFAOYSA-N
MW250.48 g/mol
LogP2.14
Rot. Bonds9

About 2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine

2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine (PubChem CID 112658412) has the molecular formula C11H26N2S2 and a molecular weight of 250.48 g/mol. Its IUPAC name is 2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
PubChem CID112658412
Molecular FormulaC11H26N2S2
Molecular Weight250.48 g/mol
Exact Mass250.15
IUPAC Name2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
SMILESCCC(CSC)N(C)C(CN)CCSC
InChIInChI=1S/C11H26N2S2/c1-5-10(9-15-4)13(2)11(8-12)6-7-14-3/h10-11H,5-9,12H2,1-4H3
InChIKeyQWKXSLKXTRSKQG-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 60810848
2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine
CID 103089079
2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine
CID 79483686
2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine
CID 155282396
N-methyl-1-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 112657591
ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate
CID 112661499
1-[4-(difluoromethyl)phenyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 115985634
2-N,2-N-bis(2-ethoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 82965661
2-[methyl(1-methylsulfanylbutan-2-yl)amino]butanethioamide
CID 112659869
2-N-methyl-2-N-(4-methylcyclohexyl)-4-methylsulfanylbutane-1,2-diamine
CID 61439507
2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine
CID 103088628
2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 60810845

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine?
The IUPAC name of 2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine (CID 112658412) is 2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine is CCC(CSC)N(C)C(CN)CCSC.
What is the InChIKey of 2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine?
The InChIKey is QWKXSLKXTRSKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S2/c1-5-10(9-15-4)13(2)11(8-12)6-7-14-3/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine?
2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine has a molecular weight of 250.48 g/mol, XLogP of 2.14, 9 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-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine is sourced from PubChem (CID 112658412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).