N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

C12H21N3O2S — CID 63309364

IUPACN-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1cccnc1CNS(=O)(=O)CCNC(C)C
InChIInChI=1S/C12H21N3O2S/c1-10(2)13-7-8-18(16,17)15-9-12-11(3)5-4-6-14-12/h4-6,10,13,15H,7-9H2,1-3H3
InChIKeyZKOWJTGQYXKNIU-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.81
Rot. Bonds7

About N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 63309364) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID63309364
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1cccnc1CNS(=O)(=O)CCNC(C)C
InChIInChI=1S/C12H21N3O2S/c1-10(2)13-7-8-18(16,17)15-9-12-11(3)5-4-6-14-12/h4-6,10,13,15H,7-9H2,1-3H3
InChIKeyZKOWJTGQYXKNIU-UHFFFAOYSA-N
XLogP0.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide
CID 116816179
2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657
N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 114701089
N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63305984
N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine
CID 112650766
2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
CID 114385023
N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54973798
N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 106336628
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240
2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide
CID 116787333
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106070211

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (CID 63309364) is N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is Cc1cccnc1CNS(=O)(=O)CCNC(C)C.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is ZKOWJTGQYXKNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(2)13-7-8-18(16,17)15-9-12-11(3)5-4-6-14-12/h4-6,10,13,15H,7-9H2,1-3H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 63309364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).