2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide

C14H22N4S — CID 105418161

IUPAC2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide
SMILESCN(CC1(N(C)C)CCC1)c1ncccc1C(N)=S
InChIInChI=1S/C14H22N4S/c1-17(2)14(7-5-8-14)10-18(3)13-11(12(15)19)6-4-9-16-13/h4,6,9H,5,7-8,10H2,1-3H3,(H2,15,19)
InChIKeyUHNHVXCYRHTTLP-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.64
Rot. Bonds5

About 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide (PubChem CID 105418161) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide
PubChem CID105418161
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide
SMILESCN(CC1(N(C)C)CCC1)c1ncccc1C(N)=S
InChIInChI=1S/C14H22N4S/c1-17(2)14(7-5-8-14)10-18(3)13-11(12(15)19)6-4-9-16-13/h4,6,9H,5,7-8,10H2,1-3H3,(H2,15,19)
InChIKeyUHNHVXCYRHTTLP-UHFFFAOYSA-N
XLogP1.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide
CID 174891136
2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43272299
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methylbenzenecarbothioamide
CID 107929337
2-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbothioamide
CID 43563703
2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide
CID 102632263
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
CID 61442220
[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-fluoro-4-pyridinyl]methanol
CID 105416170
4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 107055789
2-[(3-bromophenyl)methyl-methylamino]pyridine-3-carbothioamide
CID 61416167
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4-methoxybenzenecarbothioamide
CID 105418138
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine
CID 105414166
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105418027

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide (CID 105418161) is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide is CN(CC1(N(C)C)CCC1)c1ncccc1C(N)=S.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide?
The InChIKey is UHNHVXCYRHTTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-17(2)14(7-5-8-14)10-18(3)13-11(12(15)19)6-4-9-16-13/h4,6,9H,5,7-8,10H2,1-3H3,(H2,15,19).
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide?
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide has a molecular weight of 278.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 105418161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).