[(2-methylcyclopentanecarbonyl)amino]thiourea

C8H15N3OS — CID 107185420

IUPAC[(2-methylcyclopentanecarbonyl)amino]thiourea
SMILESCC1CCCC1C(=O)NNC(N)=S
InChIInChI=1S/C8H15N3OS/c1-5-3-2-4-6(5)7(12)10-11-8(9)13/h5-6H,2-4H2,1H3,(H,10,12)(H3,9,11,13)
InChIKeyUIINRGAVBPLHCM-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.29
Rot. Bonds1

About [(2-methylcyclopentanecarbonyl)amino]thiourea

[(2-methylcyclopentanecarbonyl)amino]thiourea (PubChem CID 107185420) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is [(2-methylcyclopentanecarbonyl)amino]thiourea.

Molecular Properties

Compound Name[(2-methylcyclopentanecarbonyl)amino]thiourea
PubChem CID107185420
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name[(2-methylcyclopentanecarbonyl)amino]thiourea
SMILESCC1CCCC1C(=O)NNC(N)=S
InChIInChI=1S/C8H15N3OS/c1-5-3-2-4-6(5)7(12)10-11-8(9)13/h5-6H,2-4H2,1H3,(H,10,12)(H3,9,11,13)
InChIKeyUIINRGAVBPLHCM-UHFFFAOYSA-N
XLogP0.29
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.29
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

cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
ethane;(1R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143679818
N-(2-amino-2-oxoethyl)-2-methylcyclohexane-1-carboxamide
CID 10420268
[(5-methyloxolane-2-carbonyl)amino]thiourea
CID 81327300
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylcyclopentane-1-carboxamide
CID 107178672
[(1-methylpiperidine-4-carbonyl)amino]thiourea
CID 45097493
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
2-[(2-methylcyclopentanecarbonyl)amino]acetic acid
CID 107175041
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107178697
N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide
CID 107180771
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361

Frequently Asked Questions

What is the IUPAC name of [(2-methylcyclopentanecarbonyl)amino]thiourea?
The IUPAC name of [(2-methylcyclopentanecarbonyl)amino]thiourea (CID 107185420) is [(2-methylcyclopentanecarbonyl)amino]thiourea.
What is the SMILES notation for [(2-methylcyclopentanecarbonyl)amino]thiourea?
The canonical SMILES for [(2-methylcyclopentanecarbonyl)amino]thiourea is CC1CCCC1C(=O)NNC(N)=S.
What is the InChIKey of [(2-methylcyclopentanecarbonyl)amino]thiourea?
The InChIKey is UIINRGAVBPLHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-5-3-2-4-6(5)7(12)10-11-8(9)13/h5-6H,2-4H2,1H3,(H,10,12)(H3,9,11,13).
What are the key properties of [(2-methylcyclopentanecarbonyl)amino]thiourea?
[(2-methylcyclopentanecarbonyl)amino]thiourea has a molecular weight of 201.29 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylcyclopentanecarbonyl)amino]thiourea is sourced from PubChem (CID 107185420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).