N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine

C11H23NOS — CID 115896146

IUPACN-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine
SMILESCC(NCC(C)S(C)=O)C1CCCC1
InChIInChI=1S/C11H23NOS/c1-9(14(3)13)8-12-10(2)11-6-4-5-7-11/h9-12H,4-8H2,1-3H3
InChIKeyCLRRONYYHGPIRT-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.92
Rot. Bonds5

About N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine

N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine (PubChem CID 115896146) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine
PubChem CID115896146
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine
SMILESCC(NCC(C)S(C)=O)C1CCCC1
InChIInChI=1S/C11H23NOS/c1-9(14(3)13)8-12-10(2)11-6-4-5-7-11/h9-12H,4-8H2,1-3H3
InChIKeyCLRRONYYHGPIRT-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine
CID 115896301
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904275
N-(1-cyclopentylethyl)-2-piperidin-1-ylpropan-1-amine
CID 62632654
(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine
CID 94431803
1-cyclopentyl-N-ethylethanamine
CID 60819244
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
2-amino-3-(1-cyclopentylethylamino)propanoic acid
CID 103251923
2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 103257937
trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol
CID 102731693
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine (CID 115896146) is N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine is CC(NCC(C)S(C)=O)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine?
The InChIKey is CLRRONYYHGPIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(14(3)13)8-12-10(2)11-6-4-5-7-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine?
N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115896146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).