N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide

C13H21N3O2S — CID 116652205

IUPACN-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
SMILESCN(C(CN)C1CC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H21N3O2S/c1-16(13(10-14)11-5-6-11)19(17,18)9-7-12-4-2-3-8-15-12/h2-4,8,11,13H,5-7,9-10,14H2,1H3
InChIKeyODNNQQUBFJAQQI-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.62
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide

N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide (PubChem CID 116652205) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
PubChem CID116652205
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
SMILESCN(C(CN)C1CC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H21N3O2S/c1-16(13(10-14)11-5-6-11)19(17,18)9-7-12-4-2-3-8-15-12/h2-4,8,11,13H,5-7,9-10,14H2,1H3
InChIKeyODNNQQUBFJAQQI-UHFFFAOYSA-N
XLogP0.62
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 79120995
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132576
N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 79116756
N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 82836200
N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
CID 79113990
N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 115756308
N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106607621
N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide
CID 114795586
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide
CID 116652294
1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 115584771
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide (CID 116652205) is N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide is CN(C(CN)C1CC1)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
The InChIKey is ODNNQQUBFJAQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(13(10-14)11-5-6-11)19(17,18)9-7-12-4-2-3-8-15-12/h2-4,8,11,13H,5-7,9-10,14H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 116652205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).