N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide

C11H22N2O3S — CID 79394021

IUPACN-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
SMILESCC(CS(C)(=O)=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H22N2O3S/c1-9(8-17(2,15)16)12-7-3-4-11(14)13-10-5-6-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeySGYBJAWEQMBTOQ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.07
Rot. Bonds8

About N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide

N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide (PubChem CID 79394021) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
PubChem CID79394021
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
SMILESCC(CS(C)(=O)=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H22N2O3S/c1-9(8-17(2,15)16)12-7-3-4-11(14)13-10-5-6-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeySGYBJAWEQMBTOQ-UHFFFAOYSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
N-cyclopropyl-4-(nonan-2-ylamino)butanamide
CID 79394259
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
N-cyclohexyl-2-(1-methylsulfonylpropan-2-ylamino)acetamide
CID 64643777
methyl 4-(1-methylsulfonylpropan-2-ylamino)butanoate
CID 64629341
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
CID 79393960
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide
CID 61275650
N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide
CID 78902587
N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide
CID 115709702
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide (CID 79394021) is N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide is CC(CS(C)(=O)=O)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide?
The InChIKey is SGYBJAWEQMBTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(8-17(2,15)16)12-7-3-4-11(14)13-10-5-6-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide?
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide has a molecular weight of 262.37 g/mol, XLogP of 0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide is sourced from PubChem (CID 79394021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).