N-cycloundecyl-2-sulfanylacetamide

C13H25NOS — CID 59400510

IUPACN-cycloundecyl-2-sulfanylacetamide
SMILESO=C(CS)NC1CCCCCCCCCC1
InChIInChI=1S/C13H25NOS/c15-13(11-16)14-12-9-7-5-3-1-2-4-6-8-10-12/h12,16H,1-11H2,(H,14,15)
InChIKeyFYSNAEWVLRXEPS-UHFFFAOYSA-N
MW243.42 g/mol
LogP3.32
Rot. Bonds2

About N-cycloundecyl-2-sulfanylacetamide

N-cycloundecyl-2-sulfanylacetamide (PubChem CID 59400510) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is N-cycloundecyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-cycloundecyl-2-sulfanylacetamide
PubChem CID59400510
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC NameN-cycloundecyl-2-sulfanylacetamide
SMILESO=C(CS)NC1CCCCCCCCCC1
InChIInChI=1S/C13H25NOS/c15-13(11-16)14-12-9-7-5-3-1-2-4-6-8-10-12/h12,16H,1-11H2,(H,14,15)
InChIKeyFYSNAEWVLRXEPS-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-sulfanylacetamide
CID 60650052
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide
CID 10015594
N-cyclodecylpropanamide
CID 122483649
N-cyclooctylpropanamide
CID 3387497
N-cyclododecylpropanamide
CID 2784600
2-chloro-N-cyclododecylacetamide
CID 4285747
3-chloro-N-cycloheptylpropanamide
CID 5152151
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
N-cyclooctylbutanamide
CID 4614062
N-cyclopentyl-2-cyclopropylacetamide
CID 60753480

Frequently Asked Questions

What is the IUPAC name of N-cycloundecyl-2-sulfanylacetamide?
The IUPAC name of N-cycloundecyl-2-sulfanylacetamide (CID 59400510) is N-cycloundecyl-2-sulfanylacetamide.
What is the SMILES notation for N-cycloundecyl-2-sulfanylacetamide?
The canonical SMILES for N-cycloundecyl-2-sulfanylacetamide is O=C(CS)NC1CCCCCCCCCC1.
What is the InChIKey of N-cycloundecyl-2-sulfanylacetamide?
The InChIKey is FYSNAEWVLRXEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c15-13(11-16)14-12-9-7-5-3-1-2-4-6-8-10-12/h12,16H,1-11H2,(H,14,15).
What are the key properties of N-cycloundecyl-2-sulfanylacetamide?
N-cycloundecyl-2-sulfanylacetamide has a molecular weight of 243.42 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloundecyl-2-sulfanylacetamide is sourced from PubChem (CID 59400510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).