4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide

C11H17N3S — CID 43565021

IUPAC4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
SMILESCN(CCCC(N)=S)Cc1ccccn1
InChIInChI=1S/C11H17N3S/c1-14(8-4-6-11(12)15)9-10-5-2-3-7-13-10/h2-3,5,7H,4,6,8-9H2,1H3,(H2,12,15)
InChIKeyHUPRLMKTEDWKKI-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.58
Rot. Bonds6

About 4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide

4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide (PubChem CID 43565021) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide.

Molecular Properties

Compound Name4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
PubChem CID43565021
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
SMILESCN(CCCC(N)=S)Cc1ccccn1
InChIInChI=1S/C11H17N3S/c1-14(8-4-6-11(12)15)9-10-5-2-3-7-13-10/h2-3,5,7H,4,6,8-9H2,1H3,(H2,12,15)
InChIKeyHUPRLMKTEDWKKI-UHFFFAOYSA-N
XLogP1.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322
N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide
CID 94230138
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
3-[N-(pyridin-2-ylmethyl)anilino]propanethioamide
CID 24711207
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)pentane-1,5-diamine
CID 65254292
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 59334325
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide?
The IUPAC name of 4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide (CID 43565021) is 4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide.
What is the SMILES notation for 4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide?
The canonical SMILES for 4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide is CN(CCCC(N)=S)Cc1ccccn1.
What is the InChIKey of 4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide?
The InChIKey is HUPRLMKTEDWKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-14(8-4-6-11(12)15)9-10-5-2-3-7-13-10/h2-3,5,7H,4,6,8-9H2,1H3,(H2,12,15).
What are the key properties of 4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide?
4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide has a molecular weight of 223.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide is sourced from PubChem (CID 43565021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).