2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile

C10H18N2O2S — CID 79850636

IUPAC2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN(CCS(C)(=O)=O)CC1(CC#N)CC1
InChIInChI=1S/C10H18N2O2S/c1-12(7-8-15(2,13)14)9-10(3-4-10)5-6-11/h3-5,7-9H2,1-2H3
InChIKeyICIDYSAENQQJKL-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.66
Rot. Bonds6

About 2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 79850636) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID79850636
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN(CCS(C)(=O)=O)CC1(CC#N)CC1
InChIInChI=1S/C10H18N2O2S/c1-12(7-8-15(2,13)14)9-10(3-4-10)5-6-11/h3-5,7-9H2,1-2H3
InChIKeyICIDYSAENQQJKL-UHFFFAOYSA-N
XLogP0.66
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile
CID 115319150
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclobutan-1-amine
CID 81170494
2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 79842792
[3-[[methyl(2-methylsulfonylethyl)amino]methyl]oxan-3-yl]methanol
CID 79858292
2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494657
N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
CID 79864779
2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide
CID 65493215
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219
2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65492583
2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
CID 79716528
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride
CID 120898547
N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 79843903

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile (CID 79850636) is 2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile is CN(CCS(C)(=O)=O)CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is ICIDYSAENQQJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-12(7-8-15(2,13)14)9-10(3-4-10)5-6-11/h3-5,7-9H2,1-2H3.
What are the key properties of 2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 230.33 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 79850636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).