N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide

C11H22N2O4S — CID 115775972

IUPACN-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide
SMILESC=CCN(CCO)C(=O)C(C)NS(=O)(=O)CCC
InChIInChI=1S/C11H22N2O4S/c1-4-6-13(7-8-14)11(15)10(3)12-18(16,17)9-5-2/h4,10,12,14H,1,5-9H2,2-3H3
InChIKeyVYZOWYCBTHABJF-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.29
Rot. Bonds9

About N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide

N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide (PubChem CID 115775972) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide
PubChem CID115775972
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide
SMILESC=CCN(CCO)C(=O)C(C)NS(=O)(=O)CCC
InChIInChI=1S/C11H22N2O4S/c1-4-6-13(7-8-14)11(15)10(3)12-18(16,17)9-5-2/h4,10,12,14H,1,5-9H2,2-3H3
InChIKeyVYZOWYCBTHABJF-UHFFFAOYSA-N
XLogP-0.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 115538843
N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylsulfonylamino)propanamide
CID 43573547
2-[carboxymethyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid
CID 63650978
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide
CID 110280366
4-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]butanoic acid
CID 60825554
2,2-dichloro-N-prop-2-enyl-N-propylacetamide
CID 21403948
3-[cyclopropyl-[2-(propylsulfonylamino)propanoyl]amino]propanoic acid
CID 60844190
methyl 4-[methyl-[2-(propylsulfonylamino)propanoyl]amino]butanoate
CID 60714617

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide (CID 115775972) is N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide is C=CCN(CCO)C(=O)C(C)NS(=O)(=O)CCC.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide?
The InChIKey is VYZOWYCBTHABJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-6-13(7-8-14)11(15)10(3)12-18(16,17)9-5-2/h4,10,12,14H,1,5-9H2,2-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide?
N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide has a molecular weight of 278.37 g/mol, XLogP of -0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide is sourced from PubChem (CID 115775972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).