N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide

C11H18N2O3S2 — CID 86247530

IUPACN-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(CC2(O)CCCC2)cs1
InChIInChI=1S/C11H18N2O3S2/c1-2-18(15,16)13-10-12-9(8-17-10)7-11(14)5-3-4-6-11/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyNDDUCXREOGHVKU-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.75
Rot. Bonds5

About N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide

N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide (PubChem CID 86247530) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide
PubChem CID86247530
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC NameN-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(CC2(O)CCCC2)cs1
InChIInChI=1S/C11H18N2O3S2/c1-2-18(15,16)13-10-12-9(8-17-10)7-11(14)5-3-4-6-11/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyNDDUCXREOGHVKU-UHFFFAOYSA-N
XLogP1.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide?
The IUPAC name of N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide (CID 86247530) is N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide?
The canonical SMILES for N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide is CCS(=O)(=O)Nc1nc(CC2(O)CCCC2)cs1.
What is the InChIKey of N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide?
The InChIKey is NDDUCXREOGHVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-2-18(15,16)13-10-12-9(8-17-10)7-11(14)5-3-4-6-11/h8,14H,2-7H2,1H3,(H,12,13).
What are the key properties of N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide?
N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide is sourced from PubChem (CID 86247530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).