2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide

C10H20N2O2S — CID 84556006

IUPAC2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
SMILESNCCSCC(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H20N2O2S/c11-5-6-15-7-10(14)12-8-1-3-9(13)4-2-8/h8-9,13H,1-7,11H2,(H,12,14)
InChIKeyBYZHLJPACVYYLC-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.10
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide

2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 84556006) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
PubChem CID84556006
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
SMILESNCCSCC(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H20N2O2S/c11-5-6-15-7-10(14)12-8-1-3-9(13)4-2-8/h8-9,13H,1-7,11H2,(H,12,14)
InChIKeyBYZHLJPACVYYLC-UHFFFAOYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
CID 43249562
N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114075
2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
CID 66234862
3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide
CID 66217317
2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide
CID 114233723
2-(3-aminobutylsulfanyl)-N-cycloheptylacetamide
CID 66232120
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962419
N-(2-aminoethyl)-N'-(4-hydroxycyclohexyl)oxamide
CID 43315763
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 66225184
2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide
CID 66127875
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
CID 54867773
2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide
CID 119389143

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide (CID 84556006) is 2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide is NCCSCC(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is BYZHLJPACVYYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c11-5-6-15-7-10(14)12-8-1-3-9(13)4-2-8/h8-9,13H,1-7,11H2,(H,12,14).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide?
2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide has a molecular weight of 232.35 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 84556006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).