2-(1-methylsulfonylpropan-2-ylamino)ethylurea

C7H17N3O3S — CID 83111655

IUPAC2-(1-methylsulfonylpropan-2-ylamino)ethylurea
SMILESCC(CS(C)(=O)=O)NCCNC(N)=O
InChIInChI=1S/C7H17N3O3S/c1-6(5-14(2,12)13)9-3-4-10-7(8)11/h6,9H,3-5H2,1-2H3,(H3,8,10,11)
InChIKeySTVKVKQOOVZTPX-UHFFFAOYSA-N
MW223.30 g/mol
LogP-1.32
Rot. Bonds6

About 2-(1-methylsulfonylpropan-2-ylamino)ethylurea

2-(1-methylsulfonylpropan-2-ylamino)ethylurea (PubChem CID 83111655) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(1-methylsulfonylpropan-2-ylamino)ethylurea.

Molecular Properties

Compound Name2-(1-methylsulfonylpropan-2-ylamino)ethylurea
PubChem CID83111655
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name2-(1-methylsulfonylpropan-2-ylamino)ethylurea
SMILESCC(CS(C)(=O)=O)NCCNC(N)=O
InChIInChI=1S/C7H17N3O3S/c1-6(5-14(2,12)13)9-3-4-10-7(8)11/h6,9H,3-5H2,1-2H3,(H3,8,10,11)
InChIKeySTVKVKQOOVZTPX-UHFFFAOYSA-N
XLogP-1.32
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpropan-2-ylamino)ethylurea?
The IUPAC name of 2-(1-methylsulfonylpropan-2-ylamino)ethylurea (CID 83111655) is 2-(1-methylsulfonylpropan-2-ylamino)ethylurea.
What is the SMILES notation for 2-(1-methylsulfonylpropan-2-ylamino)ethylurea?
The canonical SMILES for 2-(1-methylsulfonylpropan-2-ylamino)ethylurea is CC(CS(C)(=O)=O)NCCNC(N)=O.
What is the InChIKey of 2-(1-methylsulfonylpropan-2-ylamino)ethylurea?
The InChIKey is STVKVKQOOVZTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-6(5-14(2,12)13)9-3-4-10-7(8)11/h6,9H,3-5H2,1-2H3,(H3,8,10,11).
What are the key properties of 2-(1-methylsulfonylpropan-2-ylamino)ethylurea?
2-(1-methylsulfonylpropan-2-ylamino)ethylurea has a molecular weight of 223.30 g/mol, XLogP of -1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpropan-2-ylamino)ethylurea is sourced from PubChem (CID 83111655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).