1-amino-3-(cyclobutylmethyl)thiourea

C6H13N3S — CID 43298783

IUPAC1-amino-3-(cyclobutylmethyl)thiourea
SMILESNNC(=S)NCC1CCC1
InChIInChI=1S/C6H13N3S/c7-9-6(10)8-4-5-2-1-3-5/h5H,1-4,7H2,(H2,8,9,10)
InChIKeyRPGMICHMIHQXMV-UHFFFAOYSA-N
MW159.26 g/mol
LogP0.12
Rot. Bonds2

About 1-amino-3-(cyclobutylmethyl)thiourea

1-amino-3-(cyclobutylmethyl)thiourea (PubChem CID 43298783) has the molecular formula C6H13N3S and a molecular weight of 159.26 g/mol. Its IUPAC name is 1-amino-3-(cyclobutylmethyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(cyclobutylmethyl)thiourea
PubChem CID43298783
Molecular FormulaC6H13N3S
Molecular Weight159.26 g/mol
Exact Mass159.08
IUPAC Name1-amino-3-(cyclobutylmethyl)thiourea
SMILESNNC(=S)NCC1CCC1
InChIInChI=1S/C6H13N3S/c7-9-6(10)8-4-5-2-1-3-5/h5H,1-4,7H2,(H2,8,9,10)
InChIKeyRPGMICHMIHQXMV-UHFFFAOYSA-N
XLogP0.12
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-3-(cyclobutylmethyl)thiourea?
The IUPAC name of 1-amino-3-(cyclobutylmethyl)thiourea (CID 43298783) is 1-amino-3-(cyclobutylmethyl)thiourea.
What is the SMILES notation for 1-amino-3-(cyclobutylmethyl)thiourea?
The canonical SMILES for 1-amino-3-(cyclobutylmethyl)thiourea is NNC(=S)NCC1CCC1.
What is the InChIKey of 1-amino-3-(cyclobutylmethyl)thiourea?
The InChIKey is RPGMICHMIHQXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3S/c7-9-6(10)8-4-5-2-1-3-5/h5H,1-4,7H2,(H2,8,9,10).
What are the key properties of 1-amino-3-(cyclobutylmethyl)thiourea?
1-amino-3-(cyclobutylmethyl)thiourea has a molecular weight of 159.26 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(cyclobutylmethyl)thiourea is sourced from PubChem (CID 43298783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).