2-[methyl(2-methylbutan-2-yl)amino]butanethioamide

C10H22N2S — CID 63981250

IUPAC2-[methyl(2-methylbutan-2-yl)amino]butanethioamide
SMILESCCC(C(N)=S)N(C)C(C)(C)CC
InChIInChI=1S/C10H22N2S/c1-6-8(9(11)13)12(5)10(3,4)7-2/h8H,6-7H2,1-5H3,(H2,11,13)
InChIKeyAULBSIZXSAUHAS-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.17
Rot. Bonds5

About 2-[methyl(2-methylbutan-2-yl)amino]butanethioamide

2-[methyl(2-methylbutan-2-yl)amino]butanethioamide (PubChem CID 63981250) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-[methyl(2-methylbutan-2-yl)amino]butanethioamide.

Molecular Properties

Compound Name2-[methyl(2-methylbutan-2-yl)amino]butanethioamide
PubChem CID63981250
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-[methyl(2-methylbutan-2-yl)amino]butanethioamide
SMILESCCC(C(N)=S)N(C)C(C)(C)CC
InChIInChI=1S/C10H22N2S/c1-6-8(9(11)13)12(5)10(3,4)7-2/h8H,6-7H2,1-5H3,(H2,11,13)
InChIKeyAULBSIZXSAUHAS-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(2-methylbutan-2-yl)amino]propanethioamide
CID 63983607
2-[methyl(2-methylbutan-2-yl)amino]butanimidamide
CID 63981285
2-[2-(dimethylamino)ethyl-methylamino]butanethioamide
CID 63693307
2-[bis(3-methylbutyl)amino]butanethioamide
CID 114011145
3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
CID 63982121
2-[methyl(1-methylsulfanylbutan-2-yl)amino]butanethioamide
CID 112659869
3-[methyl(2-methylbutan-2-yl)amino]propanethioamide
CID 63983386
2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide
CID 65248584
3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63982622
N,4-dimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
CID 170075954
2-[2-hydroxypropyl(methyl)amino]butanamide
CID 62901231
N-iodo-N,2-dimethylbutan-2-amine
CID 154548440

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]butanethioamide?
The IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]butanethioamide (CID 63981250) is 2-[methyl(2-methylbutan-2-yl)amino]butanethioamide.
What is the SMILES notation for 2-[methyl(2-methylbutan-2-yl)amino]butanethioamide?
The canonical SMILES for 2-[methyl(2-methylbutan-2-yl)amino]butanethioamide is CCC(C(N)=S)N(C)C(C)(C)CC.
What is the InChIKey of 2-[methyl(2-methylbutan-2-yl)amino]butanethioamide?
The InChIKey is AULBSIZXSAUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-6-8(9(11)13)12(5)10(3,4)7-2/h8H,6-7H2,1-5H3,(H2,11,13).
What are the key properties of 2-[methyl(2-methylbutan-2-yl)amino]butanethioamide?
2-[methyl(2-methylbutan-2-yl)amino]butanethioamide has a molecular weight of 202.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutan-2-yl)amino]butanethioamide is sourced from PubChem (CID 63981250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).