2-amino-N-methyl-N-(thian-4-yl)acetamide

C8H16N2OS — CID 121203600

IUPAC2-amino-N-methyl-N-(thian-4-yl)acetamide
SMILESCN(C(=O)CN)C1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-10(8(11)6-9)7-2-4-12-5-3-7/h7H,2-6,9H2,1H3
InChIKeyLYBXODSDAKBPAN-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.30
Rot. Bonds2

About 2-amino-N-methyl-N-(thian-4-yl)acetamide

2-amino-N-methyl-N-(thian-4-yl)acetamide (PubChem CID 121203600) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(thian-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(thian-4-yl)acetamide
PubChem CID121203600
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-amino-N-methyl-N-(thian-4-yl)acetamide
SMILESCN(C(=O)CN)C1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-10(8(11)6-9)7-2-4-12-5-3-7/h7H,2-6,9H2,1H3
InChIKeyLYBXODSDAKBPAN-UHFFFAOYSA-N
XLogP0.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-(thian-4-yl)propanamide
CID 121203597
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
N-methyl-3-oxo-N-(thiolan-3-yl)butanamide
CID 43296752
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 81070662
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide
CID 83137303
N-methyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 121203607
1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 115452254
N-cyclobutyl-2-hydroxy-N-methylacetamide
CID 115139792
N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide
CID 60842926
N-cyclopropyl-2-(methylamino)-N-(thian-4-yl)acetamide
CID 121203672

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(thian-4-yl)acetamide?
The IUPAC name of 2-amino-N-methyl-N-(thian-4-yl)acetamide (CID 121203600) is 2-amino-N-methyl-N-(thian-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-(thian-4-yl)acetamide?
The canonical SMILES for 2-amino-N-methyl-N-(thian-4-yl)acetamide is CN(C(=O)CN)C1CCSCC1.
What is the InChIKey of 2-amino-N-methyl-N-(thian-4-yl)acetamide?
The InChIKey is LYBXODSDAKBPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-10(8(11)6-9)7-2-4-12-5-3-7/h7H,2-6,9H2,1H3.
What are the key properties of 2-amino-N-methyl-N-(thian-4-yl)acetamide?
2-amino-N-methyl-N-(thian-4-yl)acetamide has a molecular weight of 188.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(thian-4-yl)acetamide is sourced from PubChem (CID 121203600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).