N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide

C14H21N3O2S2 — CID 64831171

IUPACN-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)c1cnc2ccsc2c1
InChIInChI=1S/C14H21N3O2S2/c1-10(16-9-14(2,3)17-21(4,18)19)11-7-13-12(15-8-11)5-6-20-13/h5-8,10,16-17H,9H2,1-4H3
InChIKeyUZDLPOGSKAYTMB-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.27
Rot. Bonds6

About N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide (PubChem CID 64831171) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide
PubChem CID64831171
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC NameN-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)c1cnc2ccsc2c1
InChIInChI=1S/C14H21N3O2S2/c1-10(16-9-14(2,3)17-21(4,18)19)11-7-13-12(15-8-11)5-6-20-13/h5-8,10,16-17H,9H2,1-4H3
InChIKeyUZDLPOGSKAYTMB-UHFFFAOYSA-N
XLogP2.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide (CID 64831171) is N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide is CC(NCC(C)(C)NS(C)(=O)=O)c1cnc2ccsc2c1.
What is the InChIKey of N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide?
The InChIKey is UZDLPOGSKAYTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-10(16-9-14(2,3)17-21(4,18)19)11-7-13-12(15-8-11)5-6-20-13/h5-8,10,16-17H,9H2,1-4H3.
What are the key properties of N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide has a molecular weight of 327.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 64831171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).