N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide

C7H13NO2S — CID 164662164

IUPACN-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide
SMILESO=C(CS)NC1CC(CO)C1
InChIInChI=1S/C7H13NO2S/c9-3-5-1-6(2-5)8-7(10)4-11/h5-6,9,11H,1-4H2,(H,8,10)
InChIKeyCIDKLQNQQGESQW-UHFFFAOYSA-N
MW175.25 g/mol
LogP-0.20
Rot. Bonds3

About N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide

N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide (PubChem CID 164662164) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide
PubChem CID164662164
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide
SMILESO=C(CS)NC1CC(CO)C1
InChIInChI=1S/C7H13NO2S/c9-3-5-1-6(2-5)8-7(10)4-11/h5-6,9,11H,1-4H2,(H,8,10)
InChIKeyCIDKLQNQQGESQW-UHFFFAOYSA-N
XLogP-0.20
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.20
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-cycloundecyl-2-sulfanylacetamide
CID 59400510
N-cycloheptyl-2-sulfanylacetamide
CID 60650052
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide
CID 130663104
N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide
CID 164662207
2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide
CID 178190561
N-[3-(hydroxymethyl)cyclobutyl]-2-methylpentanamide
CID 165445060
N-(1-propan-2-ylazetidin-3-yl)-2-sulfanylacetamide
CID 130736000
[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 20729705
[(3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 89477249
[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 174154998
2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide
CID 10015594
N-[3-(hydroxymethyl)cyclobutyl]oxolane-3-carboxamide
CID 165448808

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide?
The IUPAC name of N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide (CID 164662164) is N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide?
The canonical SMILES for N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide is O=C(CS)NC1CC(CO)C1.
What is the InChIKey of N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide?
The InChIKey is CIDKLQNQQGESQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-3-5-1-6(2-5)8-7(10)4-11/h5-6,9,11H,1-4H2,(H,8,10).
What are the key properties of N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide?
N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide has a molecular weight of 175.25 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)cyclobutyl]-2-sulfanylacetamide is sourced from PubChem (CID 164662164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).