3-[hexyl(methyl)amino]butanethioamide

C11H24N2S — CID 63223651

IUPAC3-[hexyl(methyl)amino]butanethioamide
SMILESCCCCCCN(C)C(C)CC(N)=S
InChIInChI=1S/C11H24N2S/c1-4-5-6-7-8-13(3)10(2)9-11(12)14/h10H,4-9H2,1-3H3,(H2,12,14)
InChIKeyLWGOCUAEIVVQKP-UHFFFAOYSA-N
MW216.39 g/mol
LogP2.56
Rot. Bonds8

About 3-[hexyl(methyl)amino]butanethioamide

3-[hexyl(methyl)amino]butanethioamide (PubChem CID 63223651) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 3-[hexyl(methyl)amino]butanethioamide.

Molecular Properties

Compound Name3-[hexyl(methyl)amino]butanethioamide
PubChem CID63223651
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name3-[hexyl(methyl)amino]butanethioamide
SMILESCCCCCCN(C)C(C)CC(N)=S
InChIInChI=1S/C11H24N2S/c1-4-5-6-7-8-13(3)10(2)9-11(12)14/h10H,4-9H2,1-3H3,(H2,12,14)
InChIKeyLWGOCUAEIVVQKP-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 52.56
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-[decyl(methyl)amino]butanethioamide
CID 63512531
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-[hexyl(methyl)amino]butanethioamide?
The IUPAC name of 3-[hexyl(methyl)amino]butanethioamide (CID 63223651) is 3-[hexyl(methyl)amino]butanethioamide.
What is the SMILES notation for 3-[hexyl(methyl)amino]butanethioamide?
The canonical SMILES for 3-[hexyl(methyl)amino]butanethioamide is CCCCCCN(C)C(C)CC(N)=S.
What is the InChIKey of 3-[hexyl(methyl)amino]butanethioamide?
The InChIKey is LWGOCUAEIVVQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-5-6-7-8-13(3)10(2)9-11(12)14/h10H,4-9H2,1-3H3,(H2,12,14).
What are the key properties of 3-[hexyl(methyl)amino]butanethioamide?
3-[hexyl(methyl)amino]butanethioamide has a molecular weight of 216.39 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hexyl(methyl)amino]butanethioamide is sourced from PubChem (CID 63223651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).