2-methyl-2-(3-methylsulfanylpropylamino)propanamide

C8H18N2OS — CID 61218812

IUPAC2-methyl-2-(3-methylsulfanylpropylamino)propanamide
SMILESCSCCCNC(C)(C)C(N)=O
InChIInChI=1S/C8H18N2OS/c1-8(2,7(9)11)10-5-4-6-12-3/h10H,4-6H2,1-3H3,(H2,9,11)
InChIKeyOGQKFDRVTZUVNV-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.59
Rot. Bonds6

About 2-methyl-2-(3-methylsulfanylpropylamino)propanamide

2-methyl-2-(3-methylsulfanylpropylamino)propanamide (PubChem CID 61218812) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-methyl-2-(3-methylsulfanylpropylamino)propanamide.

Molecular Properties

Compound Name2-methyl-2-(3-methylsulfanylpropylamino)propanamide
PubChem CID61218812
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name2-methyl-2-(3-methylsulfanylpropylamino)propanamide
SMILESCSCCCNC(C)(C)C(N)=O
InChIInChI=1S/C8H18N2OS/c1-8(2,7(9)11)10-5-4-6-12-3/h10H,4-6H2,1-3H3,(H2,9,11)
InChIKeyOGQKFDRVTZUVNV-UHFFFAOYSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-(3-methylsulfanylpropylamino)butanamide
CID 104580425
2-methyl-2-(3-methylsulfonylpropylamino)propanamide
CID 63190991
2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide
CID 61220573
2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide
CID 106275046
(2S)-2-amino-2-methyl-5-methylsulfanylpentanamide
CID 10442235
2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide
CID 63960224
3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide
CID 76996569
1-tert-butyl-3-(3-methylsulfanylpropyl)urea
CID 115693455
ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
CID 61218283
tert-butyl 2-(3-methylsulfanylpropylamino)propanoate
CID 64687943
2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine
CID 103949991
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylsulfanylpropylamino)propanamide?
The IUPAC name of 2-methyl-2-(3-methylsulfanylpropylamino)propanamide (CID 61218812) is 2-methyl-2-(3-methylsulfanylpropylamino)propanamide.
What is the SMILES notation for 2-methyl-2-(3-methylsulfanylpropylamino)propanamide?
The canonical SMILES for 2-methyl-2-(3-methylsulfanylpropylamino)propanamide is CSCCCNC(C)(C)C(N)=O.
What is the InChIKey of 2-methyl-2-(3-methylsulfanylpropylamino)propanamide?
The InChIKey is OGQKFDRVTZUVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-8(2,7(9)11)10-5-4-6-12-3/h10H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of 2-methyl-2-(3-methylsulfanylpropylamino)propanamide?
2-methyl-2-(3-methylsulfanylpropylamino)propanamide has a molecular weight of 190.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylsulfanylpropylamino)propanamide is sourced from PubChem (CID 61218812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).