N-cycloheptyl-2-sulfanylacetamide

C9H17NOS — CID 60650052

IUPACN-cycloheptyl-2-sulfanylacetamide
SMILESO=C(CS)NC1CCCCCC1
InChIInChI=1S/C9H17NOS/c11-9(7-12)10-8-5-3-1-2-4-6-8/h8,12H,1-7H2,(H,10,11)
InChIKeyWKFSIPGZSDFTFL-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.76
Rot. Bonds2

About N-cycloheptyl-2-sulfanylacetamide

N-cycloheptyl-2-sulfanylacetamide (PubChem CID 60650052) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-cycloheptyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-sulfanylacetamide
PubChem CID60650052
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-cycloheptyl-2-sulfanylacetamide
SMILESO=C(CS)NC1CCCCCC1
InChIInChI=1S/C9H17NOS/c11-9(7-12)10-8-5-3-1-2-4-6-8/h8,12H,1-7H2,(H,10,11)
InChIKeyWKFSIPGZSDFTFL-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.76
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-cycloundecyl-2-sulfanylacetamide
CID 59400510
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-cycloheptyl-2-sulfanylacetamide?
The IUPAC name of N-cycloheptyl-2-sulfanylacetamide (CID 60650052) is N-cycloheptyl-2-sulfanylacetamide.
What is the SMILES notation for N-cycloheptyl-2-sulfanylacetamide?
The canonical SMILES for N-cycloheptyl-2-sulfanylacetamide is O=C(CS)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-sulfanylacetamide?
The InChIKey is WKFSIPGZSDFTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c11-9(7-12)10-8-5-3-1-2-4-6-8/h8,12H,1-7H2,(H,10,11).
What are the key properties of N-cycloheptyl-2-sulfanylacetamide?
N-cycloheptyl-2-sulfanylacetamide has a molecular weight of 187.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-sulfanylacetamide is sourced from PubChem (CID 60650052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).