3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide

C16H21N3O3S2 — CID 167894659

IUPAC3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide
SMILESCCOc1cccnc1S(=O)(=O)NC1(c2nc(C)cs2)CCCC1
InChIInChI=1S/C16H21N3O3S2/c1-3-22-13-7-6-10-17-14(13)24(20,21)19-16(8-4-5-9-16)15-18-12(2)11-23-15/h6-7,10-11,19H,3-5,8-9H2,1-2H3
InChIKeyCUIYCVOPZWIWMX-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.99
Rot. Bonds6

About 3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide

3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide (PubChem CID 167894659) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide
PubChem CID167894659
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide
SMILESCCOc1cccnc1S(=O)(=O)NC1(c2nc(C)cs2)CCCC1
InChIInChI=1S/C16H21N3O3S2/c1-3-22-13-7-6-10-17-14(13)24(20,21)19-16(8-4-5-9-16)15-18-12(2)11-23-15/h6-7,10-11,19H,3-5,8-9H2,1-2H3
InChIKeyCUIYCVOPZWIWMX-UHFFFAOYSA-N
XLogP2.99
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 168269102
CID 168269102
CID 71996900
CID 71996900
CID 75385040
CID 75385040
CID 137468791
CID 137468791
CID 139554979
CID 139554979
CID 156047550
CID 156047550
CID 156047556
CID 156047556
CID 156047705
CID 156047705
CID 156047707
CID 156047707
CID 157659416
CID 157659416
CID 159432532
CID 159432532
CID 160872735
CID 160872735

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide?
The IUPAC name of 3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide (CID 167894659) is 3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide is CCOc1cccnc1S(=O)(=O)NC1(c2nc(C)cs2)CCCC1.
What is the InChIKey of 3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide?
The InChIKey is CUIYCVOPZWIWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-3-22-13-7-6-10-17-14(13)24(20,21)19-16(8-4-5-9-16)15-18-12(2)11-23-15/h6-7,10-11,19H,3-5,8-9H2,1-2H3.
What are the key properties of 3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide?
3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide has a molecular weight of 367.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-sulfonamide is sourced from PubChem (CID 167894659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).