1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide

C10H18N2O2S — CID 104761691

IUPAC1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
SMILESCC(C)OCCNC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H18N2O2S/c1-7(2)14-6-5-12-9(13)10(3-4-10)8(11)15/h7H,3-6H2,1-2H3,(H2,11,15)(H,12,13)
InChIKeyBZUNVMOCBWIPRF-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.59
Rot. Bonds6

About 1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide (PubChem CID 104761691) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
PubChem CID104761691
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
SMILESCC(C)OCCNC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H18N2O2S/c1-7(2)14-6-5-12-9(13)10(3-4-10)8(11)15/h7H,3-6H2,1-2H3,(H2,11,15)(H,12,13)
InChIKeyBZUNVMOCBWIPRF-UHFFFAOYSA-N
XLogP0.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761182
2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
CID 83203503
1-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide
CID 80591543
1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide
CID 82940735
1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
CID 80592483
2-propan-2-yloxyethylurea
CID 22179539
2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761678
1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 80592590
1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
CID 80592274
4-carbamothioyl-N-(2-ethoxypropyl)oxane-4-carboxamide
CID 113477515
1-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide
CID 63828489
1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide (CID 104761691) is 1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide is CC(C)OCCNC(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide?
The InChIKey is BZUNVMOCBWIPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(2)14-6-5-12-9(13)10(3-4-10)8(11)15/h7H,3-6H2,1-2H3,(H2,11,15)(H,12,13).
What are the key properties of 1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide has a molecular weight of 230.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 104761691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).