N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide

C10H17N3O2S — CID 102676086

IUPACN-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide
SMILESCNS(=O)(=O)CCNC(C)c1cccnc1
InChIInChI=1S/C10H17N3O2S/c1-9(10-4-3-5-12-8-10)13-6-7-16(14,15)11-2/h3-5,8-9,11,13H,6-7H2,1-2H3
InChIKeyVVDGEORBPDDILR-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.28
Rot. Bonds6

About N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide

N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide (PubChem CID 102676086) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide
PubChem CID102676086
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide
SMILESCNS(=O)(=O)CCNC(C)c1cccnc1
InChIInChI=1S/C10H17N3O2S/c1-9(10-4-3-5-12-8-10)13-6-7-16(14,15)11-2/h3-5,8-9,11,13H,6-7H2,1-2H3
InChIKeyVVDGEORBPDDILR-UHFFFAOYSA-N
XLogP0.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 54972222
N-methyl-2-(1-pyridin-4-ylethylamino)ethanesulfonamide
CID 102676244
N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide
CID 102676134
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-methyl-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanamide
CID 81405194
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide?
The IUPAC name of N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide (CID 102676086) is N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide?
The canonical SMILES for N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide is CNS(=O)(=O)CCNC(C)c1cccnc1.
What is the InChIKey of N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide?
The InChIKey is VVDGEORBPDDILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-9(10-4-3-5-12-8-10)13-6-7-16(14,15)11-2/h3-5,8-9,11,13H,6-7H2,1-2H3.
What are the key properties of N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide?
N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide is sourced from PubChem (CID 102676086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).