N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide

C9H17N3O4S — CID 77015041

IUPACN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C9H17N3O4S/c1-17(15,16)5-8(13)11-7-4-2-3-6(7)9(10)12-14/h6-7,14H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyFLEDOOSZXYWZNZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP-0.94
Rot. Bonds4

About N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide (PubChem CID 77015041) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide
PubChem CID77015041
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C9H17N3O4S/c1-17(15,16)5-8(13)11-7-4-2-3-6(7)9(10)12-14/h6-7,14H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyFLEDOOSZXYWZNZ-UHFFFAOYSA-N
XLogP-0.94
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.94
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

2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide
CID 175700374
2-cyclopropyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76978603
2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978993
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
CID 76978522
[2-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]carbamic acid
CID 138597727
N-(2-methylcyclobutyl)-2-methylsulfonylacetamide
CID 130613646
2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 103166142
N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide
CID 76978990
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide
CID 77015707
N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide
CID 104985778
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
CID 76978544
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
CID 76978572

Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide (CID 77015041) is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide?
The InChIKey is FLEDOOSZXYWZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-17(15,16)5-8(13)11-7-4-2-3-6(7)9(10)12-14/h6-7,14H,2-5H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide?
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide has a molecular weight of 263.32 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide is sourced from PubChem (CID 77015041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).