1-amino-3-[(3-methylcyclobutyl)methyl]thiourea

C7H15N3S — CID 164652497

IUPAC1-amino-3-[(3-methylcyclobutyl)methyl]thiourea
SMILESCC1CC(CNC(=S)NN)C1
InChIInChI=1S/C7H15N3S/c1-5-2-6(3-5)4-9-7(11)10-8/h5-6H,2-4,8H2,1H3,(H2,9,10,11)
InChIKeyBKUXNZMSSVUKKM-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.37
Rot. Bonds2

About 1-amino-3-[(3-methylcyclobutyl)methyl]thiourea

1-amino-3-[(3-methylcyclobutyl)methyl]thiourea (PubChem CID 164652497) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-amino-3-[(3-methylcyclobutyl)methyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[(3-methylcyclobutyl)methyl]thiourea
PubChem CID164652497
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name1-amino-3-[(3-methylcyclobutyl)methyl]thiourea
SMILESCC1CC(CNC(=S)NN)C1
InChIInChI=1S/C7H15N3S/c1-5-2-6(3-5)4-9-7(11)10-8/h5-6H,2-4,8H2,1H3,(H2,9,10,11)
InChIKeyBKUXNZMSSVUKKM-UHFFFAOYSA-N
XLogP0.37
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.37
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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Related Compounds

3-Amino-1-(3-methylbutyl)thiourea
CID 5151427
3-Amino-1-(2-methylheptyl)thiourea
CID 3487726
3-Amino-1-(cyclobutylmethyl)thiourea
CID 43298783
N-pentylhydrazinecarbothioamide
CID 2513311
4-Isobutylthiosemicarbazide
CID 12367441
1-Amino-3-(2-methylbutyl)thiourea
CID 19847570
1-Amino-3-(2-ethylhexyl)thiourea
CID 21557815
1-amino-3-[(2R)-2-methylheptyl]thiourea
CID 2376030
1-amino-3-[(2S)-2-methylheptyl]thiourea
CID 2376031
1-Amino-3-(cyclopentylmethyl)thiourea
CID 43371189
1-Amino-3-(4-methylpentan-2-yl)thiourea
CID 43372344
1-Amino-3-(2-ethylbutyl)thiourea
CID 55280359

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(3-methylcyclobutyl)methyl]thiourea?
The IUPAC name of 1-amino-3-[(3-methylcyclobutyl)methyl]thiourea (CID 164652497) is 1-amino-3-[(3-methylcyclobutyl)methyl]thiourea.
What is the SMILES notation for 1-amino-3-[(3-methylcyclobutyl)methyl]thiourea?
The canonical SMILES for 1-amino-3-[(3-methylcyclobutyl)methyl]thiourea is CC1CC(CNC(=S)NN)C1.
What is the InChIKey of 1-amino-3-[(3-methylcyclobutyl)methyl]thiourea?
The InChIKey is BKUXNZMSSVUKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-5-2-6(3-5)4-9-7(11)10-8/h5-6H,2-4,8H2,1H3,(H2,9,10,11).
What are the key properties of 1-amino-3-[(3-methylcyclobutyl)methyl]thiourea?
1-amino-3-[(3-methylcyclobutyl)methyl]thiourea has a molecular weight of 173.28 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(3-methylcyclobutyl)methyl]thiourea is sourced from PubChem (CID 164652497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).