1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea

C10H21N3O3S — CID 113065279

IUPAC1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea
SMILESC=CCN(CCNC(=O)NC(C)C)S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-5-7-13(17(4,15)16)8-6-11-10(14)12-9(2)3/h5,9H,1,6-8H2,2-4H3,(H2,11,12,14)
InChIKeyXPQATMHNCYRNAE-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.14
Rot. Bonds7

About 1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea

1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea (PubChem CID 113065279) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea
PubChem CID113065279
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea
SMILESC=CCN(CCNC(=O)NC(C)C)S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-5-7-13(17(4,15)16)8-6-11-10(14)12-9(2)3/h5,9H,1,6-8H2,2-4H3,(H2,11,12,14)
InChIKeyXPQATMHNCYRNAE-UHFFFAOYSA-N
XLogP0.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
CID 58837153
2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide
CID 113065214
N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide
CID 113052311
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea
CID 47062460
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide
CID 113065281
3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113136439
1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
CID 113065754
1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea
CID 113068413
1-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-3-propan-2-ylurea
CID 113067380
1-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113072449
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113065257

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea (CID 113065279) is 1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea is C=CCN(CCNC(=O)NC(C)C)S(C)(=O)=O.
What is the InChIKey of 1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea?
The InChIKey is XPQATMHNCYRNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-5-7-13(17(4,15)16)8-6-11-10(14)12-9(2)3/h5,9H,1,6-8H2,2-4H3,(H2,11,12,14).
What are the key properties of 1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea?
1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea has a molecular weight of 263.36 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 113065279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).