1-cyclopropylsulfonyl-3-propan-2-ylurea

C7H14N2O3S — CID 130380279

IUPAC1-cyclopropylsulfonyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C7H14N2O3S/c1-5(2)8-7(10)9-13(11,12)6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyTXSNAYSMFFPYIW-UHFFFAOYSA-N
MW206.27 g/mol
LogP0.19
Rot. Bonds3

About 1-cyclopropylsulfonyl-3-propan-2-ylurea

1-cyclopropylsulfonyl-3-propan-2-ylurea (PubChem CID 130380279) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-propan-2-ylurea
PubChem CID130380279
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name1-cyclopropylsulfonyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C7H14N2O3S/c1-5(2)8-7(10)9-13(11,12)6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyTXSNAYSMFFPYIW-UHFFFAOYSA-N
XLogP0.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-propan-2-ylurea?
The IUPAC name of 1-cyclopropylsulfonyl-3-propan-2-ylurea (CID 130380279) is 1-cyclopropylsulfonyl-3-propan-2-ylurea.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-propan-2-ylurea?
The canonical SMILES for 1-cyclopropylsulfonyl-3-propan-2-ylurea is CC(C)NC(=O)NS(=O)(=O)C1CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-3-propan-2-ylurea?
The InChIKey is TXSNAYSMFFPYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-5(2)8-7(10)9-13(11,12)6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-cyclopropylsulfonyl-3-propan-2-ylurea?
1-cyclopropylsulfonyl-3-propan-2-ylurea has a molecular weight of 206.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-propan-2-ylurea is sourced from PubChem (CID 130380279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).