N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide

C10H21N3O2S — CID 79503901

IUPACN-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1=NCCCC1)NS(C)(=O)=O
InChIInChI=1S/C10H21N3O2S/c1-10(2,13-16(3,14)15)8-12-9-6-4-5-7-11-9/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyBTZYDQMIRSVLGE-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.49
Rot. Bonds4

About N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide (PubChem CID 79503901) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide
PubChem CID79503901
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC NameN-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1=NCCCC1)NS(C)(=O)=O
InChIInChI=1S/C10H21N3O2S/c1-10(2,13-16(3,14)15)8-12-9-6-4-5-7-11-9/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyBTZYDQMIRSVLGE-UHFFFAOYSA-N
XLogP0.49
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide (CID 79503901) is N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide is CC(C)(CNC1=NCCCC1)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide?
The InChIKey is BTZYDQMIRSVLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-10(2,13-16(3,14)15)8-12-9-6-4-5-7-11-9/h13H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide has a molecular weight of 247.36 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 79503901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).