1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide

C11H17N3OS — CID 106325470

IUPAC1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCCN2CCSCC2)CC1
InChIInChI=1S/C11H17N3OS/c12-9-11(1-2-11)10(15)13-3-4-14-5-7-16-8-6-14/h1-8H2,(H,13,15)
InChIKeyVOPJNBIPAJXOTI-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.46
Rot. Bonds4

About 1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide

1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide (PubChem CID 106325470) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide
PubChem CID106325470
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCCN2CCSCC2)CC1
InChIInChI=1S/C11H17N3OS/c12-9-11(1-2-11)10(15)13-3-4-14-5-7-16-8-6-14/h1-8H2,(H,13,15)
InChIKeyVOPJNBIPAJXOTI-UHFFFAOYSA-N
XLogP0.46
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
1-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide
CID 103813670
1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 114173937
2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106325478
1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide
CID 106326711
4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride
CID 119853651
N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325242
2,2-dimethyl-3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106305204
2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 106305188
4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 106326529
1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80502375
1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide
CID 115635699

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide (CID 106325470) is 1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide is N#CC1(C(=O)NCCN2CCSCC2)CC1.
What is the InChIKey of 1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is VOPJNBIPAJXOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c12-9-11(1-2-11)10(15)13-3-4-14-5-7-16-8-6-14/h1-8H2,(H,13,15).
What are the key properties of 1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide?
1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 106325470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).