N,2-dimethyl-3-sulfanylpropanamide

C5H11NOS — CID 13075016

IUPACN,2-dimethyl-3-sulfanylpropanamide
SMILESCNC(=O)C(C)CS
InChIInChI=1S/C5H11NOS/c1-4(3-8)5(7)6-2/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyZHMCAKDNKHCALC-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.30
Rot. Bonds2

About N,2-dimethyl-3-sulfanylpropanamide

N,2-dimethyl-3-sulfanylpropanamide (PubChem CID 13075016) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is N,2-dimethyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-sulfanylpropanamide
PubChem CID13075016
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameN,2-dimethyl-3-sulfanylpropanamide
SMILESCNC(=O)C(C)CS
InChIInChI=1S/C5H11NOS/c1-4(3-8)5(7)6-2/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyZHMCAKDNKHCALC-UHFFFAOYSA-N
XLogP0.30
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide
CID 88724377
(2S)-3-hydroxy-N,2-dimethylpropanamide
CID 58246856
(2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide
CID 88891450
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide
CID 154978208
N,2,5-trimethylhexanamide
CID 78065622
N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
CID 176992458
(2S)-N,2,4,4-tetramethylpentanamide
CID 58247049
5-hydroxy-N,2,4-trimethylpentanamide
CID 157214325
(2R)-2-fluoro-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxo-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide
CID 139308462
4-[[(2S)-2-methyl-3-sulfanylpropanoyl]amino]benzoic acid
CID 88611511
(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide
CID 101104048
4-methyl-5-(methylamino)-5-oxopentanoyl fluoride
CID 20695613

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-sulfanylpropanamide?
The IUPAC name of N,2-dimethyl-3-sulfanylpropanamide (CID 13075016) is N,2-dimethyl-3-sulfanylpropanamide.
What is the SMILES notation for N,2-dimethyl-3-sulfanylpropanamide?
The canonical SMILES for N,2-dimethyl-3-sulfanylpropanamide is CNC(=O)C(C)CS.
What is the InChIKey of N,2-dimethyl-3-sulfanylpropanamide?
The InChIKey is ZHMCAKDNKHCALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-4(3-8)5(7)6-2/h4,8H,3H2,1-2H3,(H,6,7).
What are the key properties of N,2-dimethyl-3-sulfanylpropanamide?
N,2-dimethyl-3-sulfanylpropanamide has a molecular weight of 133.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-sulfanylpropanamide is sourced from PubChem (CID 13075016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).