1-cyclopropyl-3,3-dimethyl-1-sulfanylurea

C6H12N2OS — CID 88793805

IUPAC1-cyclopropyl-3,3-dimethyl-1-sulfanylurea
SMILESCN(C)C(=O)N(S)C1CC1
InChIInChI=1S/C6H12N2OS/c1-7(2)6(9)8(10)5-3-4-5/h5,10H,3-4H2,1-2H3
InChIKeyBTCRRMCMBWSZPC-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.98
Rot. Bonds1

About 1-cyclopropyl-3,3-dimethyl-1-sulfanylurea

1-cyclopropyl-3,3-dimethyl-1-sulfanylurea (PubChem CID 88793805) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-1-sulfanylurea.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethyl-1-sulfanylurea
PubChem CID88793805
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name1-cyclopropyl-3,3-dimethyl-1-sulfanylurea
SMILESCN(C)C(=O)N(S)C1CC1
InChIInChI=1S/C6H12N2OS/c1-7(2)6(9)8(10)5-3-4-5/h5,10H,3-4H2,1-2H3
InChIKeyBTCRRMCMBWSZPC-UHFFFAOYSA-N
XLogP0.98
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-1-sulfanylurea?
The IUPAC name of 1-cyclopropyl-3,3-dimethyl-1-sulfanylurea (CID 88793805) is 1-cyclopropyl-3,3-dimethyl-1-sulfanylurea.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-1-sulfanylurea?
The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-1-sulfanylurea is CN(C)C(=O)N(S)C1CC1.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-1-sulfanylurea?
The InChIKey is BTCRRMCMBWSZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-7(2)6(9)8(10)5-3-4-5/h5,10H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-3,3-dimethyl-1-sulfanylurea?
1-cyclopropyl-3,3-dimethyl-1-sulfanylurea has a molecular weight of 160.24 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethyl-1-sulfanylurea is sourced from PubChem (CID 88793805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).