N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide

C10H18N2O2S — CID 107032147

IUPACN-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
SMILESCC(S)C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C10H18N2O2S/c1-7(15)10(14)11-6-2-3-9(13)12-8-4-5-8/h7-8,15H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeySXPAUHZBVXXTHZ-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.48
Rot. Bonds6

About N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide

N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide (PubChem CID 107032147) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
PubChem CID107032147
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
SMILESCC(S)C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C10H18N2O2S/c1-7(15)10(14)11-6-2-3-9(13)12-8-4-5-8/h7-8,15H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeySXPAUHZBVXXTHZ-UHFFFAOYSA-N
XLogP0.48
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
CID 79400697
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylbutanamide
CID 79400785
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride
CID 119728342
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
N-cyclopropyl-4-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]butanamide
CID 111002059
N-cyclopropyl-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide
CID 111125811

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide (CID 107032147) is N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide is CC(S)C(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide?
The InChIKey is SXPAUHZBVXXTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(15)10(14)11-6-2-3-9(13)12-8-4-5-8/h7-8,15H,2-6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide?
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide has a molecular weight of 230.33 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide is sourced from PubChem (CID 107032147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).