3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide

C8H17N3OS — CID 62324423

IUPAC3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(C)C(N)=S
InChIInChI=1S/C8H17N3OS/c1-6(8(9)13)11(3)5-4-7(12)10-2/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12)
InChIKeyLMHGOEKDTAHLCT-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.27
Rot. Bonds5

About 3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide

3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide (PubChem CID 62324423) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide
PubChem CID62324423
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Name3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(C)C(N)=S
InChIInChI=1S/C8H17N3OS/c1-6(8(9)13)11(3)5-4-7(12)10-2/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12)
InChIKeyLMHGOEKDTAHLCT-UHFFFAOYSA-N
XLogP-0.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916227
4-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylbutanamide
CID 63889932
3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916209
4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide
CID 104556890
3-amino-2-benzyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylidenepropanamide
CID 106915544
N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
CID 106914626
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
2-[6-hydroxyhexyl(methyl)amino]propanethioamide
CID 107703801
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309
2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide
CID 60913837
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]-N-methylpropanamide
CID 106916452
(2R)-N-methyl-2-[methyl-[2-[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
CID 101497284

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide (CID 62324423) is 3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)C(C)C(N)=S.
What is the InChIKey of 3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide?
The InChIKey is LMHGOEKDTAHLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-6(8(9)13)11(3)5-4-7(12)10-2/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12).
What are the key properties of 3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide?
3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide has a molecular weight of 203.31 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 62324423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).