1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea

C12H26N2O3S — CID 75381969

IUPAC1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea
SMILESCCC(C)(CC)NC(=O)NC(C)CS(=O)(=O)CC
InChIInChI=1S/C12H26N2O3S/c1-6-12(5,7-2)14-11(15)13-10(4)9-18(16,17)8-3/h10H,6-9H2,1-5H3,(H2,13,14,15)
InChIKeyWZNKADAVVXSJDW-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.69
Rot. Bonds7

About 1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea

1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea (PubChem CID 75381969) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea
PubChem CID75381969
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea
SMILESCCC(C)(CC)NC(=O)NC(C)CS(=O)(=O)CC
InChIInChI=1S/C12H26N2O3S/c1-6-12(5,7-2)14-11(15)13-10(4)9-18(16,17)8-3/h10H,6-9H2,1-5H3,(H2,13,14,15)
InChIKeyWZNKADAVVXSJDW-UHFFFAOYSA-N
XLogP1.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Isopropyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2831179
N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
CID 93913810
3-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2831171
1,1-Dibutyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2831178
(S)-3-(3,3-dibutylureido)-3-methyl-1lambda-tetrahydro-1H-thiophene-1,1-dione
CID 40481427
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-isopropyl-1-methylurea
CID 47236061
1-(3,3-Dimethylbutyl)-3-(2-ethylsulfonylethyl)urea
CID 53583214
1-[(1,1-Dioxothiolan-2-yl)methyl]-3-(5-methylhexan-2-yl)urea
CID 71915927
1-[[1-(Methylsulfonylmethyl)cyclopropyl]methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 71920705
1-Ethyl-1-(1-ethylsulfonylpropan-2-yl)-3-propan-2-ylurea
CID 72135788
1-(1,1-Dioxothian-3-yl)-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 75443363
3-(2-tert-butylsulfonylethyl)-1-[(1S)-1-cyclopropylethyl]-1-methylurea
CID 95968826

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea?
The IUPAC name of 1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea (CID 75381969) is 1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea.
What is the SMILES notation for 1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea?
The canonical SMILES for 1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea is CCC(C)(CC)NC(=O)NC(C)CS(=O)(=O)CC.
What is the InChIKey of 1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea?
The InChIKey is WZNKADAVVXSJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-6-12(5,7-2)14-11(15)13-10(4)9-18(16,17)8-3/h10H,6-9H2,1-5H3,(H2,13,14,15).
What are the key properties of 1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea?
1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea has a molecular weight of 278.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylpropan-2-yl)-3-(3-methylpentan-3-yl)urea is sourced from PubChem (CID 75381969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).