N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide

C9H17NO3S — CID 103799843

IUPACN-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCC1CCCO1)NCCO
InChIInChI=1S/C9H17NO3S/c11-4-3-10-9(12)7-14-6-8-2-1-5-13-8/h8,11H,1-7H2,(H,10,12)
InChIKeyUOSKTSAMYIGWQR-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.01
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide

N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide (PubChem CID 103799843) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
PubChem CID103799843
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCC1CCCO1)NCCO
InChIInChI=1S/C9H17NO3S/c11-4-3-10-9(12)7-14-6-8-2-1-5-13-8/h8,11H,1-7H2,(H,10,12)
InChIKeyUOSKTSAMYIGWQR-UHFFFAOYSA-N
XLogP0.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119407916
N-[2-(cycloheptylamino)ethyl]-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119620861
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513465
N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119642821
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
2-(oxan-2-ylmethylsulfanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453049
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide
CID 103767595
3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpropanoic acid
CID 43237289
N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119611650

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide (CID 103799843) is N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide is O=C(CSCC1CCCO1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide?
The InChIKey is UOSKTSAMYIGWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-4-3-10-9(12)7-14-6-8-2-1-5-13-8/h8,11H,1-7H2,(H,10,12).
What are the key properties of N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide?
N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide has a molecular weight of 219.31 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 103799843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).