3-[3,3-dimethylbutyl(methyl)amino]propanethioamide

C10H22N2S — CID 61481344

IUPAC3-[3,3-dimethylbutyl(methyl)amino]propanethioamide
SMILESCN(CCC(N)=S)CCC(C)(C)C
InChIInChI=1S/C10H22N2S/c1-10(2,3)6-8-12(4)7-5-9(11)13/h5-8H2,1-4H3,(H2,11,13)
InChIKeyRWKCABIKHVBDHO-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.03
Rot. Bonds5

About 3-[3,3-dimethylbutyl(methyl)amino]propanethioamide

3-[3,3-dimethylbutyl(methyl)amino]propanethioamide (PubChem CID 61481344) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-[3,3-dimethylbutyl(methyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[3,3-dimethylbutyl(methyl)amino]propanethioamide
PubChem CID61481344
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name3-[3,3-dimethylbutyl(methyl)amino]propanethioamide
SMILESCN(CCC(N)=S)CCC(C)(C)C
InChIInChI=1S/C10H22N2S/c1-10(2,3)6-8-12(4)7-5-9(11)13/h5-8H2,1-4H3,(H2,11,13)
InChIKeyRWKCABIKHVBDHO-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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

2,2-Dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]butanethioamide
CID 65247350
4-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanethioamide
CID 65248681
2,2-Dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanethioamide
CID 65248857
2,2-Dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]butanethioamide
CID 65538740
4-[2,2-Difluoroethyl(methyl)amino]-2,2-dimethylbutanethioamide
CID 116315105
4-(Diethylamino)butanethioamide
CID 24699092
3-(Butylamino)-2,2-dimethylpropanethioamide
CID 174909030
3-[Butyl(ethyl)amino]propanethioamide
CID 24691670
3-(Dipropylamino)propanethioamide
CID 24694719
3-[Butyl(methyl)amino]propanethioamide
CID 24704160
4-[Butyl(ethyl)amino]butanethioamide
CID 24705715
4-(Dipropylamino)butanethioamide
CID 24708110

Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutyl(methyl)amino]propanethioamide?
The IUPAC name of 3-[3,3-dimethylbutyl(methyl)amino]propanethioamide (CID 61481344) is 3-[3,3-dimethylbutyl(methyl)amino]propanethioamide.
What is the SMILES notation for 3-[3,3-dimethylbutyl(methyl)amino]propanethioamide?
The canonical SMILES for 3-[3,3-dimethylbutyl(methyl)amino]propanethioamide is CN(CCC(N)=S)CCC(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutyl(methyl)amino]propanethioamide?
The InChIKey is RWKCABIKHVBDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-10(2,3)6-8-12(4)7-5-9(11)13/h5-8H2,1-4H3,(H2,11,13).
What are the key properties of 3-[3,3-dimethylbutyl(methyl)amino]propanethioamide?
3-[3,3-dimethylbutyl(methyl)amino]propanethioamide has a molecular weight of 202.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutyl(methyl)amino]propanethioamide is sourced from PubChem (CID 61481344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).