N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide

C12H21NO2S — CID 115878099

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)NC1(CO)CCC1
InChIInChI=1S/C12H21NO2S/c14-9-12(4-1-5-12)13-11(15)8-10-2-6-16-7-3-10/h10,14H,1-9H2,(H,13,15)
InChIKeyAYXGEBIGIAWXHA-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.55
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide

N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide (PubChem CID 115878099) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide
PubChem CID115878099
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)NC1(CO)CCC1
InChIInChI=1S/C12H21NO2S/c14-9-12(4-1-5-12)13-11(15)8-10-2-6-16-7-3-10/h10,14H,1-9H2,(H,13,15)
InChIKeyAYXGEBIGIAWXHA-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide (CID 115878099) is N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide is O=C(CC1CCSCC1)NC1(CO)CCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide?
The InChIKey is AYXGEBIGIAWXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c14-9-12(4-1-5-12)13-11(15)8-10-2-6-16-7-3-10/h10,14H,1-9H2,(H,13,15).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide?
N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide has a molecular weight of 243.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide is sourced from PubChem (CID 115878099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).