3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide

C6H12N2OS2 — CID 63958907

IUPAC3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide
SMILESCSCCNC(=O)CC(N)=S
InChIInChI=1S/C6H12N2OS2/c1-11-3-2-8-6(9)4-5(7)10/h2-4H2,1H3,(H2,7,10)(H,8,9)
InChIKeyHMWXDFFCOCZKGN-UHFFFAOYSA-N
MW192.31 g/mol
LogP0.14
Rot. Bonds5

About 3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide

3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide (PubChem CID 63958907) has the molecular formula C6H12N2OS2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide
PubChem CID63958907
Molecular FormulaC6H12N2OS2
Molecular Weight192.31 g/mol
Exact Mass192.04
IUPAC Name3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide
SMILESCSCCNC(=O)CC(N)=S
InChIInChI=1S/C6H12N2OS2/c1-11-3-2-8-6(9)4-5(7)10/h2-4H2,1H3,(H2,7,10)(H,8,9)
InChIKeyHMWXDFFCOCZKGN-UHFFFAOYSA-N
XLogP0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide
CID 65416830
3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide
CID 28942423
methyl 3-[(3-amino-3-sulfanylidenepropanoyl)amino]propanoate
CID 61293180
3-amino-N-(2-methylsulfanylethyl)butanamide
CID 63957777
methyl N-(2-methylsulfanylethyl)carbamodithioate
CID 20526585
ethyl 4-(2-methylsulfanylethylamino)-4-oxobutanoate
CID 60637595
3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide
CID 76996569
2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane
CID 159962117
5-hydroxy-N-(2-methylsulfanylethyl)pentanamide
CID 79198659
2-(1-aminocyclopentyl)-N-(2-methylsulfanylethyl)acetamide
CID 64679274
N-(2-methylsulfanylethyl)-5-oxopentanamide
CID 58340929
4-amino-N-[2-(2-methylsulfanylethylamino)-2-oxoethyl]benzamide
CID 60666348

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide (CID 63958907) is 3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide is CSCCNC(=O)CC(N)=S.
What is the InChIKey of 3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide?
The InChIKey is HMWXDFFCOCZKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS2/c1-11-3-2-8-6(9)4-5(7)10/h2-4H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of 3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide?
3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide has a molecular weight of 192.31 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 63958907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).