2-cyclohexyl-2,2-bis(sulfanyl)acetamide

C8H15NOS2 — CID 91514122

IUPAC2-cyclohexyl-2,2-bis(sulfanyl)acetamide
SMILESNC(=O)C(S)(S)C1CCCCC1
InChIInChI=1S/C8H15NOS2/c9-7(10)8(11,12)6-4-2-1-3-5-6/h6,11-12H,1-5H2,(H2,9,10)
InChIKeyFOBMLCHJVONXKX-UHFFFAOYSA-N
MW205.35 g/mol
LogP1.61
Rot. Bonds2

About 2-cyclohexyl-2,2-bis(sulfanyl)acetamide

2-cyclohexyl-2,2-bis(sulfanyl)acetamide (PubChem CID 91514122) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-cyclohexyl-2,2-bis(sulfanyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2,2-bis(sulfanyl)acetamide
PubChem CID91514122
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC Name2-cyclohexyl-2,2-bis(sulfanyl)acetamide
SMILESNC(=O)C(S)(S)C1CCCCC1
InChIInChI=1S/C8H15NOS2/c9-7(10)8(11,12)6-4-2-1-3-5-6/h6,11-12H,1-5H2,(H2,9,10)
InChIKeyFOBMLCHJVONXKX-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyclohexyl-2-fluoropropanamide
CID 97455861
2-cyclohexyl-2,2-bis(dimethylsilyl)acetamide
CID 174618234
(2S)-2-amino-2-cyclohexylbutanamide
CID 67737232
(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
CID 67022454
3-cyclohexyl-3-methylbutan-2-one
CID 20782049
(2S)-2-cyclohexyl-2-(cyclopropylamino)propanamide
CID 93404423
2-cyclohexyl-2-methylpropanoate
CID 57470554
2-cyclohexyl-2-sulfanylbutanoic acid
CID 174351783
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
2-methylpropyl 2-cyclohexyl-2-methylpropanoate
CID 162502207
2-cyclohexyl-2-(propylamino)propanamide
CID 60995793
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2,2-bis(sulfanyl)acetamide?
The IUPAC name of 2-cyclohexyl-2,2-bis(sulfanyl)acetamide (CID 91514122) is 2-cyclohexyl-2,2-bis(sulfanyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-2,2-bis(sulfanyl)acetamide?
The canonical SMILES for 2-cyclohexyl-2,2-bis(sulfanyl)acetamide is NC(=O)C(S)(S)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2,2-bis(sulfanyl)acetamide?
The InChIKey is FOBMLCHJVONXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c9-7(10)8(11,12)6-4-2-1-3-5-6/h6,11-12H,1-5H2,(H2,9,10).
What are the key properties of 2-cyclohexyl-2,2-bis(sulfanyl)acetamide?
2-cyclohexyl-2,2-bis(sulfanyl)acetamide has a molecular weight of 205.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,2-bis(sulfanyl)acetamide is sourced from PubChem (CID 91514122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).