1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide

C10H25N3O3S — CID 159156938

IUPAC1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(C)(=O)=O.CCNC(=O)NC(C)C
InChIInChI=1S/C6H14N2O.C4H11NO2S/c1-4-7-6(9)8-5(2)3;1-4(2)5-8(3,6)7/h5H,4H2,1-3H3,(H2,7,8,9);4-5H,1-3H3
InChIKeyKJZWMZHNVCCONF-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.66
Rot. Bonds4

About 1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide

1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide (PubChem CID 159156938) has the molecular formula C10H25N3O3S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide
PubChem CID159156938
Molecular FormulaC10H25N3O3S
Molecular Weight267.39 g/mol
Exact Mass267.16
IUPAC Name1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(C)(=O)=O.CCNC(=O)NC(C)C
InChIInChI=1S/C6H14N2O.C4H11NO2S/c1-4-7-6(9)8-5(2)3;1-4(2)5-8(3,6)7/h5H,4H2,1-3H3,(H2,7,8,9);4-5H,1-3H3
InChIKeyKJZWMZHNVCCONF-UHFFFAOYSA-N
XLogP0.66
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
1-ethyl-3-(propan-2-ylamino)urea
CID 54144387
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
1-ethyl-3-(1-fluoropropan-2-yl)urea
CID 126991916
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea
CID 47062460
1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea
CID 116657505
1-(2-ethylbutyl)-3-propan-2-ylurea
CID 84528098
2-(ethylcarbamoylamino)propanamide
CID 115582785
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
CID 158499294
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide (CID 159156938) is 1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide is CC(C)NS(C)(=O)=O.CCNC(=O)NC(C)C.
What is the InChIKey of 1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide?
The InChIKey is KJZWMZHNVCCONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C4H11NO2S/c1-4-7-6(9)8-5(2)3;1-4(2)5-8(3,6)7/h5H,4H2,1-3H3,(H2,7,8,9);4-5H,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide?
1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 159156938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).