1-(tert-butylamino)-3-cyclopropylthiourea

C8H17N3S — CID 130669831

IUPAC1-(tert-butylamino)-3-cyclopropylthiourea
SMILESCC(C)(C)NNC(=S)NC1CC1
InChIInChI=1S/C8H17N3S/c1-8(2,3)11-10-7(12)9-6-4-5-6/h6,11H,4-5H2,1-3H3,(H2,9,10,12)
InChIKeyJKADIHAMBGWLMU-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.92
Rot. Bonds2

About 1-(tert-butylamino)-3-cyclopropylthiourea

1-(tert-butylamino)-3-cyclopropylthiourea (PubChem CID 130669831) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-cyclopropylthiourea.

Molecular Properties

Compound Name1-(tert-butylamino)-3-cyclopropylthiourea
PubChem CID130669831
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name1-(tert-butylamino)-3-cyclopropylthiourea
SMILESCC(C)(C)NNC(=S)NC1CC1
InChIInChI=1S/C8H17N3S/c1-8(2,3)11-10-7(12)9-6-4-5-6/h6,11H,4-5H2,1-3H3,(H2,9,10,12)
InChIKeyJKADIHAMBGWLMU-UHFFFAOYSA-N
XLogP0.92
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-cyclopropylthiourea?
The IUPAC name of 1-(tert-butylamino)-3-cyclopropylthiourea (CID 130669831) is 1-(tert-butylamino)-3-cyclopropylthiourea.
What is the SMILES notation for 1-(tert-butylamino)-3-cyclopropylthiourea?
The canonical SMILES for 1-(tert-butylamino)-3-cyclopropylthiourea is CC(C)(C)NNC(=S)NC1CC1.
What is the InChIKey of 1-(tert-butylamino)-3-cyclopropylthiourea?
The InChIKey is JKADIHAMBGWLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-8(2,3)11-10-7(12)9-6-4-5-6/h6,11H,4-5H2,1-3H3,(H2,9,10,12).
What are the key properties of 1-(tert-butylamino)-3-cyclopropylthiourea?
1-(tert-butylamino)-3-cyclopropylthiourea has a molecular weight of 187.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-cyclopropylthiourea is sourced from PubChem (CID 130669831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).