N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide

C9H17NO2S — CID 106137809

IUPACN-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
SMILESO=C(CS)NCC1CCC(O)CC1
InChIInChI=1S/C9H17NO2S/c11-8-3-1-7(2-4-8)5-10-9(12)6-13/h7-8,11,13H,1-6H2,(H,10,12)
InChIKeyCEDFYHILDYXIEW-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.58
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide

N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide (PubChem CID 106137809) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
PubChem CID106137809
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
SMILESO=C(CS)NCC1CCC(O)CC1
InChIInChI=1S/C9H17NO2S/c11-8-3-1-7(2-4-8)5-10-9(12)6-13/h7-8,11,13H,1-6H2,(H,10,12)
InChIKeyCEDFYHILDYXIEW-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
N-[(4-hydroxycyclohexyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 106137808
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid
CID 106120428
N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide
CID 106123870
N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 106137813
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658
N-(oxiran-2-ylmethyl)-2-sulfanylacetamide
CID 174615641
3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106135794
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide (CID 106137809) is N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide is O=C(CS)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide?
The InChIKey is CEDFYHILDYXIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-8-3-1-7(2-4-8)5-10-9(12)6-13/h7-8,11,13H,1-6H2,(H,10,12).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide?
N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide has a molecular weight of 203.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide is sourced from PubChem (CID 106137809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).