2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide

C10H18N2O2S2 — CID 10015594

IUPAC2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide
SMILESO=C(CS)N[C@@H]1CCCC[C@H]1NC(=O)CS
InChIInChI=1S/C10H18N2O2S2/c13-9(5-15)11-7-3-1-2-4-8(7)12-10(14)6-16/h7-8,15-16H,1-6H2,(H,11,13)(H,12,14)/t7-,8-/m1/s1
InChIKeyXMKXCDBWFOFXJS-HTQZYQBOSA-N
MW262.40 g/mol
LogP0.39
Rot. Bonds4

About 2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide

2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide (PubChem CID 10015594) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide
PubChem CID10015594
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide
SMILESO=C(CS)N[C@@H]1CCCC[C@H]1NC(=O)CS
InChIInChI=1S/C10H18N2O2S2/c13-9(5-15)11-7-3-1-2-4-8(7)12-10(14)6-16/h7-8,15-16H,1-6H2,(H,11,13)(H,12,14)/t7-,8-/m1/s1
InChIKeyXMKXCDBWFOFXJS-HTQZYQBOSA-N
XLogP0.39
TPSA58.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-2-sulfanylacetamide
CID 60650052
4-[[2-(3-carboxypropanoylamino)cyclohexyl]amino]-4-oxobutanoic acid
CID 2913415
2-methoxy-N-[2-[(2-methoxyacetyl)amino]cyclohexyl]acetamide
CID 54302346
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-(4-methylthiolan-3-yl)-2-sulfanylacetamide
CID 131001602
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
CID 106367884

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide?
The IUPAC name of 2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide (CID 10015594) is 2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide?
The canonical SMILES for 2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide is O=C(CS)N[C@@H]1CCCC[C@H]1NC(=O)CS.
What is the InChIKey of 2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide?
The InChIKey is XMKXCDBWFOFXJS-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c13-9(5-15)11-7-3-1-2-4-8(7)12-10(14)6-16/h7-8,15-16H,1-6H2,(H,11,13)(H,12,14)/t7-,8-/m1/s1.
What are the key properties of 2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide?
2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 0.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 10015594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).