(2S)-N-cyclopropyl-2-sulfanylpropanamide

C6H11NOS — CID 87518275

IUPAC(2S)-N-cyclopropyl-2-sulfanylpropanamide
SMILESC[C@H](S)C(=O)NC1CC1
InChIInChI=1S/C6H11NOS/c1-4(9)6(8)7-5-2-3-5/h4-5,9H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyHCJCWVPUTFEEAU-BYPYZUCNSA-N
MW145.23 g/mol
LogP0.58
Rot. Bonds2

About (2S)-N-cyclopropyl-2-sulfanylpropanamide

(2S)-N-cyclopropyl-2-sulfanylpropanamide (PubChem CID 87518275) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-sulfanylpropanamide
PubChem CID87518275
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name(2S)-N-cyclopropyl-2-sulfanylpropanamide
SMILESC[C@H](S)C(=O)NC1CC1
InChIInChI=1S/C6H11NOS/c1-4(9)6(8)7-5-2-3-5/h4-5,9H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyHCJCWVPUTFEEAU-BYPYZUCNSA-N
XLogP0.58
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.58
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

2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
CID 107031276
N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide
CID 130556653
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033634
N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512
N-(4-bromocyclohexyl)-2-methylpropanamide
CID 114309031
(2S)-2-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 70253137
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-sulfanylpropanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-sulfanylpropanamide (CID 87518275) is (2S)-N-cyclopropyl-2-sulfanylpropanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-sulfanylpropanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-sulfanylpropanamide is C[C@H](S)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-sulfanylpropanamide?
The InChIKey is HCJCWVPUTFEEAU-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NOS/c1-4(9)6(8)7-5-2-3-5/h4-5,9H,2-3H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-sulfanylpropanamide?
(2S)-N-cyclopropyl-2-sulfanylpropanamide has a molecular weight of 145.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-sulfanylpropanamide is sourced from PubChem (CID 87518275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).