3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide

C10H20N2O2S — CID 106170755

IUPAC3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide
SMILESCC1(C)CCSCC1NCC(O)C(N)=O
InChIInChI=1S/C10H20N2O2S/c1-10(2)3-4-15-6-8(10)12-5-7(13)9(11)14/h7-8,12-13H,3-6H2,1-2H3,(H2,11,14)
InChIKeyZUYWLMFSWRQVED-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.05
Rot. Bonds4

About 3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide

3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide (PubChem CID 106170755) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide
PubChem CID106170755
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide
SMILESCC1(C)CCSCC1NCC(O)C(N)=O
InChIInChI=1S/C10H20N2O2S/c1-10(2)3-4-15-6-8(10)12-5-7(13)9(11)14/h7-8,12-13H,3-6H2,1-2H3,(H2,11,14)
InChIKeyZUYWLMFSWRQVED-UHFFFAOYSA-N
XLogP-0.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4,4-dimethylthian-3-yl)amino]methyl]hexan-1-ol
CID 106114383
2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide
CID 79948277
3-[(4,4-dimethylthian-3-yl)amino]-2-methylpropane-1,2-diol
CID 79948294
2-[(4,4-dimethylthian-3-yl)amino]-1-morpholin-4-ylethanone
CID 113405955
tert-butyl N-[3-[(4,4-dimethylthian-3-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246624
[1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol
CID 113359583
ethyl 4-[(4,4-dimethylthian-3-yl)amino]benzoate
CID 79951721
4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine
CID 79948969
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]ethyl]carbamate
CID 107241345
4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide
CID 79948097
4,4-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thian-3-amine
CID 79952644
N-but-3-ynyl-4,4-dimethylthian-3-amine
CID 79948373

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide (CID 106170755) is 3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide is CC1(C)CCSCC1NCC(O)C(N)=O.
What is the InChIKey of 3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide?
The InChIKey is ZUYWLMFSWRQVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-10(2)3-4-15-6-8(10)12-5-7(13)9(11)14/h7-8,12-13H,3-6H2,1-2H3,(H2,11,14).
What are the key properties of 3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide?
3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide has a molecular weight of 232.35 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106170755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).