[amino(sulfanyl)methyl]urea

C2H7N3OS — CID 21113651

IUPAC[amino(sulfanyl)methyl]urea
SMILESNC(=O)NC(N)S
InChIInChI=1S/C2H7N3OS/c3-1(6)5-2(4)7/h2,7H,4H2,(H3,3,5,6)
InChIKeyXLQCYDXFWPJRAT-UHFFFAOYSA-N
MW121.17 g/mol
LogP-1.17
Rot. Bonds1

About [amino(sulfanyl)methyl]urea

[amino(sulfanyl)methyl]urea (PubChem CID 21113651) has the molecular formula C2H7N3OS and a molecular weight of 121.17 g/mol. Its IUPAC name is [amino(sulfanyl)methyl]urea.

Molecular Properties

Compound Name[amino(sulfanyl)methyl]urea
PubChem CID21113651
Molecular FormulaC2H7N3OS
Molecular Weight121.17 g/mol
Exact Mass121.03
IUPAC Name[amino(sulfanyl)methyl]urea
SMILESNC(=O)NC(N)S
InChIInChI=1S/C2H7N3OS/c3-1(6)5-2(4)7/h2,7H,4H2,(H3,3,5,6)
InChIKeyXLQCYDXFWPJRAT-UHFFFAOYSA-N
XLogP-1.17
TPSA81.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.17
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(sulfanyl)methyl]urea?
The IUPAC name of [amino(sulfanyl)methyl]urea (CID 21113651) is [amino(sulfanyl)methyl]urea.
What is the SMILES notation for [amino(sulfanyl)methyl]urea?
The canonical SMILES for [amino(sulfanyl)methyl]urea is NC(=O)NC(N)S.
What is the InChIKey of [amino(sulfanyl)methyl]urea?
The InChIKey is XLQCYDXFWPJRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3OS/c3-1(6)5-2(4)7/h2,7H,4H2,(H3,3,5,6).
What are the key properties of [amino(sulfanyl)methyl]urea?
[amino(sulfanyl)methyl]urea has a molecular weight of 121.17 g/mol, XLogP of -1.17, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(sulfanyl)methyl]urea is sourced from PubChem (CID 21113651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).