3-[decyl(methyl)amino]butanethioamide

C15H32N2S — CID 63512531

IUPAC3-[decyl(methyl)amino]butanethioamide
SMILESCCCCCCCCCCN(C)C(C)CC(N)=S
InChIInChI=1S/C15H32N2S/c1-4-5-6-7-8-9-10-11-12-17(3)14(2)13-15(16)18/h14H,4-13H2,1-3H3,(H2,16,18)
InChIKeyKLKLPHIHCGJQMV-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.12
Rot. Bonds12

About 3-[decyl(methyl)amino]butanethioamide

3-[decyl(methyl)amino]butanethioamide (PubChem CID 63512531) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 3-[decyl(methyl)amino]butanethioamide.

Molecular Properties

Compound Name3-[decyl(methyl)amino]butanethioamide
PubChem CID63512531
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name3-[decyl(methyl)amino]butanethioamide
SMILESCCCCCCCCCCN(C)C(C)CC(N)=S
InChIInChI=1S/C15H32N2S/c1-4-5-6-7-8-9-10-11-12-17(3)14(2)13-15(16)18/h14H,4-13H2,1-3H3,(H2,16,18)
InChIKeyKLKLPHIHCGJQMV-UHFFFAOYSA-N
XLogP4.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[hexyl(methyl)amino]butanethioamide
CID 63223651
3-[2-hydroxyethyl(methyl)amino]butanethioamide
CID 60961415
3-[butyl(methyl)amino]pentanethioamide
CID 43174954
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
3-[methyl(pentyl)amino]butanoic acid
CID 43537465
3-[methyl(2-propylsulfonylethyl)amino]butanethioamide
CID 106724853
3-[methyl(2-methylpropyl)amino]butanethioamide
CID 60913501
3-[methyl(2-methylsulfanylethyl)amino]butanethioamide
CID 112659818
4-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylbutanamide
CID 63889932
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
3-[dodecyl(methyl)amino]propanethioamide
CID 63515133
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420

Frequently Asked Questions

What is the IUPAC name of 3-[decyl(methyl)amino]butanethioamide?
The IUPAC name of 3-[decyl(methyl)amino]butanethioamide (CID 63512531) is 3-[decyl(methyl)amino]butanethioamide.
What is the SMILES notation for 3-[decyl(methyl)amino]butanethioamide?
The canonical SMILES for 3-[decyl(methyl)amino]butanethioamide is CCCCCCCCCCN(C)C(C)CC(N)=S.
What is the InChIKey of 3-[decyl(methyl)amino]butanethioamide?
The InChIKey is KLKLPHIHCGJQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-4-5-6-7-8-9-10-11-12-17(3)14(2)13-15(16)18/h14H,4-13H2,1-3H3,(H2,16,18).
What are the key properties of 3-[decyl(methyl)amino]butanethioamide?
3-[decyl(methyl)amino]butanethioamide has a molecular weight of 272.50 g/mol, XLogP of 4.12, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[decyl(methyl)amino]butanethioamide is sourced from PubChem (CID 63512531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).