N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine

C12H28N2S2 — CID 130249112

IUPACN-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)SCCSN(C)C(C)CC
InChIInChI=1S/C12H28N2S2/c1-7-11(3)13(5)15-9-10-16-14(6)12(4)8-2/h11-12H,7-10H2,1-6H3
InChIKeyFUEUMYFXYSXMSD-UHFFFAOYSA-N
MW264.50 g/mol
LogP3.74
Rot. Bonds9

About N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine

N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine (PubChem CID 130249112) has the molecular formula C12H28N2S2 and a molecular weight of 264.50 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine
PubChem CID130249112
Molecular FormulaC12H28N2S2
Molecular Weight264.50 g/mol
Exact Mass264.17
IUPAC NameN-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)SCCSN(C)C(C)CC
InChIInChI=1S/C12H28N2S2/c1-7-11(3)13(5)15-9-10-16-14(6)12(4)8-2/h11-12H,7-10H2,1-6H3
InChIKeyFUEUMYFXYSXMSD-UHFFFAOYSA-N
XLogP3.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-methylsulfanylbutan-2-amine
CID 123569080
2-[butan-2-yl(propan-2-yl)amino]sulfanylethanethiol
CID 130246819
N-methyl-N-(2-methylsulfanylethylsulfanyl)propan-2-amine
CID 130411530
N-methyl-N-trimethylsilylbutan-2-amine
CID 12571867
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine
CID 130248140
N-ethyl-N-propan-2-yloxypropan-2-amine
CID 59512189
N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 159533219
2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 60810848
N-butan-2-yl-N-[di(butan-2-yl)amino]silylsilylbutan-2-amine
CID 123473093
N,N-dipropylbutan-2-amine
CID 524229
N-(2-chloropropyl)-N-methylbutan-2-amine
CID 79445031

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine (CID 130249112) is N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine is CCC(C)N(C)SCCSN(C)C(C)CC.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine?
The InChIKey is FUEUMYFXYSXMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S2/c1-7-11(3)13(5)15-9-10-16-14(6)12(4)8-2/h11-12H,7-10H2,1-6H3.
What are the key properties of N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine?
N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine has a molecular weight of 264.50 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine is sourced from PubChem (CID 130249112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).