1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide

C13H21N3O2S2 — CID 61453927

IUPAC1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C13H21N3O2S2/c17-20(18,9-10-4-2-1-3-5-10)16-13-15-11-6-7-14-8-12(11)19-13/h10,14H,1-9H2,(H,15,16)
InChIKeyYOYMMGJKEQUGFF-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.11
Rot. Bonds4

About 1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide

1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide (PubChem CID 61453927) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
PubChem CID61453927
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C13H21N3O2S2/c17-20(18,9-10-4-2-1-3-5-10)16-13-15-11-6-7-14-8-12(11)19-13/h10,14H,1-9H2,(H,15,16)
InChIKeyYOYMMGJKEQUGFF-UHFFFAOYSA-N
XLogP2.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide (CID 61453927) is 1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide is O=S(=O)(CC1CCCCC1)Nc1nc2c(s1)CNCC2.
What is the InChIKey of 1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The InChIKey is YOYMMGJKEQUGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c17-20(18,9-10-4-2-1-3-5-10)16-13-15-11-6-7-14-8-12(11)19-13/h10,14H,1-9H2,(H,15,16).
What are the key properties of 1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide has a molecular weight of 315.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide is sourced from PubChem (CID 61453927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).