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

C11H22N2OS — CID 79948277

IUPAC2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide
SMILESCC(C)(NC1CSCCC1(C)C)C(N)=O
InChIInChI=1S/C11H22N2OS/c1-10(2)5-6-15-7-8(10)13-11(3,4)9(12)14/h8,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyFLABKSSBVRZIDI-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.37
Rot. Bonds3

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

2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide (PubChem CID 79948277) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide
PubChem CID79948277
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide
SMILESCC(C)(NC1CSCCC1(C)C)C(N)=O
InChIInChI=1S/C11H22N2OS/c1-10(2)5-6-15-7-8(10)13-11(3,4)9(12)14/h8,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyFLABKSSBVRZIDI-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide (CID 79948277) is 2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide is CC(C)(NC1CSCCC1(C)C)C(N)=O.
What is the InChIKey of 2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide?
The InChIKey is FLABKSSBVRZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-10(2)5-6-15-7-8(10)13-11(3,4)9(12)14/h8,13H,5-7H2,1-4H3,(H2,12,14).
What are the key properties of 2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide?
2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide has a molecular weight of 230.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylthian-3-yl)amino]-2-methylpropanamide is sourced from PubChem (CID 79948277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).