1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide

C13H24N4O2S — CID 106326711

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCCN2CCSCC2)CCCC1
InChIInChI=1S/C13H24N4O2S/c14-11(16-19)13(3-1-2-4-13)12(18)15-5-6-17-7-9-20-10-8-17/h19H,1-10H2,(H2,14,16)(H,15,18)
InChIKeyAWSITQSTYPCEKP-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.46
Rot. Bonds5

About 1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide (PubChem CID 106326711) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide
PubChem CID106326711
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCCN2CCSCC2)CCCC1
InChIInChI=1S/C13H24N4O2S/c14-11(16-19)13(3-1-2-4-13)12(18)15-5-6-17-7-9-20-10-8-17/h19H,1-10H2,(H2,14,16)(H,15,18)
InChIKeyAWSITQSTYPCEKP-UHFFFAOYSA-N
XLogP0.46
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide
CID 106432159
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 55037776
N'-hydroxy-1-(thiomorpholine-4-carbonyl)cyclopentane-1-carboximidamide
CID 55038094
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 76207675
N'-hydroxy-1-(thiomorpholine-4-carbonyl)cyclopentane-1-carboximidamide
CID 76207696
1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76920594
N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920893
1-(N'-hydroxycarbamimidoyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 76921092
N-(1-ethylpiperidin-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76921404
1-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide
CID 76921627
N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboximidamide
CID 76921790
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 76921810

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide (CID 106326711) is 1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide is NC(=NO)C1(C(=O)NCCN2CCSCC2)CCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is AWSITQSTYPCEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c14-11(16-19)13(3-1-2-4-13)12(18)15-5-6-17-7-9-20-10-8-17/h19H,1-10H2,(H2,14,16)(H,15,18).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 106326711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).