N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine

C10H19NO2S — CID 107758266

IUPACN-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine
SMILESCC1OCCC1S(=O)CCNC1CC1
InChIInChI=1S/C10H19NO2S/c1-8-10(4-6-13-8)14(12)7-5-11-9-2-3-9/h8-11H,2-7H2,1H3
InChIKeySFMOSFYSNVZIRV-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.66
Rot. Bonds5

About N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine

N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine (PubChem CID 107758266) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine
PubChem CID107758266
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine
SMILESCC1OCCC1S(=O)CCNC1CC1
InChIInChI=1S/C10H19NO2S/c1-8-10(4-6-13-8)14(12)7-5-11-9-2-3-9/h8-11H,2-7H2,1H3
InChIKeySFMOSFYSNVZIRV-UHFFFAOYSA-N
XLogP0.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine (CID 107758266) is N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine is CC1OCCC1S(=O)CCNC1CC1.
What is the InChIKey of N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine?
The InChIKey is SFMOSFYSNVZIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8-10(4-6-13-8)14(12)7-5-11-9-2-3-9/h8-11H,2-7H2,1H3.
What are the key properties of N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine?
N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine has a molecular weight of 217.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine is sourced from PubChem (CID 107758266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).