[(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid

C11H20N2O2S — CID 88962222

IUPAC[(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid
SMILESCC(C)(C)NC(=S)[C@@H]1CCC(NC(=O)O)C1
InChIInChI=1S/C11H20N2O2S/c1-11(2,3)13-9(16)7-4-5-8(6-7)12-10(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8?/m1/s1
InChIKeyGTGXQGSSXLWFDT-GVHYBUMESA-N
MW244.36 g/mol
LogP2.14
Rot. Bonds2

About [(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid

[(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid (PubChem CID 88962222) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is [(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid
PubChem CID88962222
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name[(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid
SMILESCC(C)(C)NC(=S)[C@@H]1CCC(NC(=O)O)C1
InChIInChI=1S/C11H20N2O2S/c1-11(2,3)13-9(16)7-4-5-8(6-7)12-10(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8?/m1/s1
InChIKeyGTGXQGSSXLWFDT-GVHYBUMESA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid
CID 151346902
[(1S,3R)-3-(methylamino)cyclopentyl]carbamic acid
CID 146636382
tert-butyl N-[(1S,3R)-3-(methylcarbamothioyl)cyclopentyl]carbamate
CID 59028664
cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120690503
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
(3-aminocyclopentyl)carbamic acid
CID 69243227
[(1S,3R)-3-aminocyclopentyl]carbamic acid
CID 67513100
[(3R)-3-aminocyclopentyl]carbamic acid
CID 68775558
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
(3-hydroxy-4-methylcyclohexyl)carbamic acid
CID 89157990
[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]carbamic acid
CID 89396263

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid?
The IUPAC name of [(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid (CID 88962222) is [(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid.
What is the SMILES notation for [(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid?
The canonical SMILES for [(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid is CC(C)(C)NC(=S)[C@@H]1CCC(NC(=O)O)C1.
What is the InChIKey of [(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid?
The InChIKey is GTGXQGSSXLWFDT-GVHYBUMESA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11(2,3)13-9(16)7-4-5-8(6-7)12-10(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8?/m1/s1.
What are the key properties of [(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid?
[(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid has a molecular weight of 244.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid is sourced from PubChem (CID 88962222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).