N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine

C13H20N2O3S — CID 106544677

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
SMILESCOCCC1(CNc2ncccc2S(C)(=O)=O)CC1
InChIInChI=1S/C13H20N2O3S/c1-18-9-7-13(5-6-13)10-15-12-11(19(2,16)17)4-3-8-14-12/h3-4,8H,5-7,9-10H2,1-2H3,(H,14,15)
InChIKeyGSRGMVQEAKRMFW-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.71
Rot. Bonds7

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine (PubChem CID 106544677) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
PubChem CID106544677
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
SMILESCOCCC1(CNc2ncccc2S(C)(=O)=O)CC1
InChIInChI=1S/C13H20N2O3S/c1-18-9-7-13(5-6-13)10-15-12-11(19(2,16)17)4-3-8-14-12/h3-4,8H,5-7,9-10H2,1-2H3,(H,14,15)
InChIKeyGSRGMVQEAKRMFW-UHFFFAOYSA-N
XLogP1.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114600015
3-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridin-2-amine
CID 103794745
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 105419005
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine
CID 114113412
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile
CID 103794641
4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114598931
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide
CID 114112950
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 103794661
N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598927
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114598692
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine (CID 106544677) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine is COCCC1(CNc2ncccc2S(C)(=O)=O)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine?
The InChIKey is GSRGMVQEAKRMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-9-7-13(5-6-13)10-15-12-11(19(2,16)17)4-3-8-14-12/h3-4,8H,5-7,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine has a molecular weight of 284.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 106544677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).