1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine

C8H17NOS — CID 64654604

IUPAC1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine
SMILESCCNC(CS(C)=O)C1CC1
InChIInChI=1S/C8H17NOS/c1-3-9-8(6-11(2)10)7-4-5-7/h7-9H,3-6H2,1-2H3
InChIKeyCPZNQVZVMVWCLD-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.75
Rot. Bonds5

About 1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine

1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine (PubChem CID 64654604) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine
PubChem CID64654604
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine
SMILESCCNC(CS(C)=O)C1CC1
InChIInChI=1S/C8H17NOS/c1-3-9-8(6-11(2)10)7-4-5-7/h7-9H,3-6H2,1-2H3
InChIKeyCPZNQVZVMVWCLD-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine
CID 104754519
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine
CID 64660071
2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone
CID 114236179
1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine
CID 64653227
2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
CID 104754578
1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869640
N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine
CID 115896301
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
CID 107759055
1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
CID 62600215
1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104994066
N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64776056

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine (CID 64654604) is 1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine is CCNC(CS(C)=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine?
The InChIKey is CPZNQVZVMVWCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-9-8(6-11(2)10)7-4-5-7/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine?
1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine has a molecular weight of 175.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine is sourced from PubChem (CID 64654604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).