2-sulfanylpropan-2-ylurea

C4H10N2OS — CID 174193064

IUPAC2-sulfanylpropan-2-ylurea
SMILESCC(C)(S)NC(N)=O
InChIInChI=1S/C4H10N2OS/c1-4(2,8)6-3(5)7/h8H,1-2H3,(H3,5,6,7)
InChIKeyRMCDAVOPOYOQFO-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.32
Rot. Bonds1

About 2-sulfanylpropan-2-ylurea

2-sulfanylpropan-2-ylurea (PubChem CID 174193064) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-sulfanylpropan-2-ylurea.

Molecular Properties

Compound Name2-sulfanylpropan-2-ylurea
PubChem CID174193064
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name2-sulfanylpropan-2-ylurea
SMILESCC(C)(S)NC(N)=O
InChIInChI=1S/C4H10N2OS/c1-4(2,8)6-3(5)7/h8H,1-2H3,(H3,5,6,7)
InChIKeyRMCDAVOPOYOQFO-UHFFFAOYSA-N
XLogP0.32
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Related Compounds

1,1-dihydroxyethylurea
CID 54031376
(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea
CID 61121623
(2R)-2-(carbamoylamino)-2-fluoropropanoic acid
CID 102601187
(1-fluoro-2-methylpropan-2-yl)urea
CID 130684890
2,2-bis(sulfanyl)propanamide;hydrazine
CID 161266278
[1-(carbamoylamino)-2-hydroxypropan-2-yl]urea
CID 87226252
(Z)-3-fluoro-2-methyl-N-(2-sulfanylpropan-2-yl)but-2-enamide
CID 138569238
2-amino-2-sulfanylpropanoic acid
CID 22715625
3-(aminomethyl)pentan-3-ylurea
CID 63766558
6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide
CID 106185340
2,3-dimethyl-2-sulfanylbutanamide
CID 55284967
(5-ethyl-3-methylheptan-3-yl)urea
CID 155063510

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylpropan-2-ylurea?
The IUPAC name of 2-sulfanylpropan-2-ylurea (CID 174193064) is 2-sulfanylpropan-2-ylurea.
What is the SMILES notation for 2-sulfanylpropan-2-ylurea?
The canonical SMILES for 2-sulfanylpropan-2-ylurea is CC(C)(S)NC(N)=O.
What is the InChIKey of 2-sulfanylpropan-2-ylurea?
The InChIKey is RMCDAVOPOYOQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-4(2,8)6-3(5)7/h8H,1-2H3,(H3,5,6,7).
What are the key properties of 2-sulfanylpropan-2-ylurea?
2-sulfanylpropan-2-ylurea has a molecular weight of 134.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylpropan-2-ylurea is sourced from PubChem (CID 174193064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).