2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide

C13H24N2O2S — CID 119513465

IUPAC2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(CSCC1CCCCO1)NCC1CCCN1
InChIInChI=1S/C13H24N2O2S/c16-13(15-8-11-4-3-6-14-11)10-18-9-12-5-1-2-7-17-12/h11-12,14H,1-10H2,(H,15,16)
InChIKeyCKYVCUMTCVNANV-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.16
Rot. Bonds6

About 2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide

2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 119513465) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID119513465
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(CSCC1CCCCO1)NCC1CCCN1
InChIInChI=1S/C13H24N2O2S/c16-13(15-8-11-4-3-6-14-11)10-18-9-12-5-1-2-7-17-12/h11-12,14H,1-10H2,(H,15,16)
InChIKeyCKYVCUMTCVNANV-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
N-(oxan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 55013597
2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511742
N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119407916
N-(oxolan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 43151298
2-(oxan-2-ylmethylsulfanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453049
N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
CID 103799843
N-[2-(cycloheptylamino)ethyl]-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119620861
N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 120599932
2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
CID 106495458
N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119642821
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540759

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide (CID 119513465) is 2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide is O=C(CSCC1CCCCO1)NCC1CCCN1.
What is the InChIKey of 2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is CKYVCUMTCVNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-13(15-8-11-4-3-6-14-11)10-18-9-12-5-1-2-7-17-12/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of 2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 272.41 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 119513465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).