1-cyclopropyl-3-(methylamino)thiourea

C5H11N3S — CID 54396987

IUPAC1-cyclopropyl-3-(methylamino)thiourea
SMILESCNNC(=S)NC1CC1
InChIInChI=1S/C5H11N3S/c1-6-8-5(9)7-4-2-3-4/h4,6H,2-3H2,1H3,(H2,7,8,9)
InChIKeyVKROFYNSMIKPRP-UHFFFAOYSA-N
MW145.23 g/mol
LogP-0.25
Rot. Bonds2

About 1-cyclopropyl-3-(methylamino)thiourea

1-cyclopropyl-3-(methylamino)thiourea (PubChem CID 54396987) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-(methylamino)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(methylamino)thiourea
PubChem CID54396987
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name1-cyclopropyl-3-(methylamino)thiourea
SMILESCNNC(=S)NC1CC1
InChIInChI=1S/C5H11N3S/c1-6-8-5(9)7-4-2-3-4/h4,6H,2-3H2,1H3,(H2,7,8,9)
InChIKeyVKROFYNSMIKPRP-UHFFFAOYSA-N
XLogP-0.25
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-1-butylthiourea
CID 1810303
3-Amino-1-(butan-2-yl)-3-methylthiourea
CID 16226736
n-Propylhydrazinecarbothioamide
CID 1810736
3-Amino-1-cyclopropylthiourea
CID 1808158
4-Isopropyl-3-thiosemicarbazide
CID 1809376
3-Amino-1-cyclobutylthiourea
CID 52346214
4-Sec-butyl-thiosemicarbazide
CID 3962768
1-Amino-3-(cyclopropylmethyl)thiourea
CID 28934672
Hydrazinecarbothioamide, 1,2-dimethyl-N-(1-methylethyl)-
CID 12077099
1-Amino-3-(4,4,4-trifluorobutan-2-yl)thiourea
CID 105934286
4-[2-Dimethylaminopropyl]thiosemicarbazide
CID 5366287
4-Isobutylthiosemicarbazide
CID 12367441

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(methylamino)thiourea?
The IUPAC name of 1-cyclopropyl-3-(methylamino)thiourea (CID 54396987) is 1-cyclopropyl-3-(methylamino)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(methylamino)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(methylamino)thiourea is CNNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(methylamino)thiourea?
The InChIKey is VKROFYNSMIKPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c1-6-8-5(9)7-4-2-3-4/h4,6H,2-3H2,1H3,(H2,7,8,9).
What are the key properties of 1-cyclopropyl-3-(methylamino)thiourea?
1-cyclopropyl-3-(methylamino)thiourea has a molecular weight of 145.23 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(methylamino)thiourea is sourced from PubChem (CID 54396987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).