1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide

C11H20N2O2S — CID 107755285

IUPAC1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide
SMILESCC1OCCC1SC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C11H20N2O2S/c1-7-9(3-5-15-7)16-8-2-4-11(13,6-8)10(12)14/h7-9H,2-6,13H2,1H3,(H2,12,14)
InChIKeyBQDVQAGZASYFMQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.63
Rot. Bonds3

About 1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide

1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide (PubChem CID 107755285) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide
PubChem CID107755285
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide
SMILESCC1OCCC1SC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C11H20N2O2S/c1-7-9(3-5-15-7)16-8-2-4-11(13,6-8)10(12)14/h7-9H,2-6,13H2,1H3,(H2,12,14)
InChIKeyBQDVQAGZASYFMQ-UHFFFAOYSA-N
XLogP0.63
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
CID 107755218
1-(ethylamino)-3-(2-methyloxolan-3-yl)sulfanylcyclohexane-1-carboxylic acid
CID 107755289
3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 107755360
1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide
CID 79656985
1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide
CID 107756277
1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
CID 79638267
1-(ethylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 107755374
3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine
CID 107762588
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide
CID 79654187
1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide
CID 79635164
3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760881

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide (CID 107755285) is 1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide is CC1OCCC1SC1CCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide?
The InChIKey is BQDVQAGZASYFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7-9(3-5-15-7)16-8-2-4-11(13,6-8)10(12)14/h7-9H,2-6,13H2,1H3,(H2,12,14).
What are the key properties of 1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide?
1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 107755285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).