(3-amino-2-methyl-3-sulfanylidenepropyl)urea

C5H11N3OS — CID 62666520

IUPAC(3-amino-2-methyl-3-sulfanylidenepropyl)urea
SMILESCC(CNC(N)=O)C(N)=S
InChIInChI=1S/C5H11N3OS/c1-3(4(6)10)2-8-5(7)9/h3H,2H2,1H3,(H2,6,10)(H3,7,8,9)
InChIKeySDSADQCCQUYNTP-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.42
Rot. Bonds3

About (3-amino-2-methyl-3-sulfanylidenepropyl)urea

(3-amino-2-methyl-3-sulfanylidenepropyl)urea (PubChem CID 62666520) has the molecular formula C5H11N3OS and a molecular weight of 161.23 g/mol. Its IUPAC name is (3-amino-2-methyl-3-sulfanylidenepropyl)urea.

Molecular Properties

Compound Name(3-amino-2-methyl-3-sulfanylidenepropyl)urea
PubChem CID62666520
Molecular FormulaC5H11N3OS
Molecular Weight161.23 g/mol
Exact Mass161.06
IUPAC Name(3-amino-2-methyl-3-sulfanylidenepropyl)urea
SMILESCC(CNC(N)=O)C(N)=S
InChIInChI=1S/C5H11N3OS/c1-3(4(6)10)2-8-5(7)9/h3H,2H2,1H3,(H2,6,10)(H3,7,8,9)
InChIKeySDSADQCCQUYNTP-UHFFFAOYSA-N
XLogP-0.42
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide
CID 62667449
sodium 3-(carbamoylamino)-2-methylpropanoate
CID 175666948
N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
CID 62668191
N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide
CID 65450102
methyl 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)sulfamoyl]propanoate
CID 62666912
2-methylbutylurea
CID 22179633
[(2R)-1-(carbamoylamino)propan-2-yl]urea
CID 3246036
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(4-chlorophenyl)urea
CID 55102669
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-methylsulfanylbenzamide
CID 79215523
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
CID 62666717
2-[(carbamoylamino)methyl]-3-methylbutanoic acid
CID 65218090

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methyl-3-sulfanylidenepropyl)urea?
The IUPAC name of (3-amino-2-methyl-3-sulfanylidenepropyl)urea (CID 62666520) is (3-amino-2-methyl-3-sulfanylidenepropyl)urea.
What is the SMILES notation for (3-amino-2-methyl-3-sulfanylidenepropyl)urea?
The canonical SMILES for (3-amino-2-methyl-3-sulfanylidenepropyl)urea is CC(CNC(N)=O)C(N)=S.
What is the InChIKey of (3-amino-2-methyl-3-sulfanylidenepropyl)urea?
The InChIKey is SDSADQCCQUYNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3OS/c1-3(4(6)10)2-8-5(7)9/h3H,2H2,1H3,(H2,6,10)(H3,7,8,9).
What are the key properties of (3-amino-2-methyl-3-sulfanylidenepropyl)urea?
(3-amino-2-methyl-3-sulfanylidenepropyl)urea has a molecular weight of 161.23 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methyl-3-sulfanylidenepropyl)urea is sourced from PubChem (CID 62666520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).