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

C12H18N2O3S2 — CID 11623617

IUPACN-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1nc(CC2(O)CCCC2)cs1)C1CC1
InChIInChI=1S/C12H18N2O3S2/c15-12(5-1-2-6-12)7-9-8-18-11(13-9)14-19(16,17)10-3-4-10/h8,10,15H,1-7H2,(H,13,14)
InChIKeyQMPLJNIYJDLHIV-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.89
Rot. Bonds5

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

N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide (PubChem CID 11623617) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide
PubChem CID11623617
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC NameN-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1nc(CC2(O)CCCC2)cs1)C1CC1
InChIInChI=1S/C12H18N2O3S2/c15-12(5-1-2-6-12)7-9-8-18-11(13-9)14-19(16,17)10-3-4-10/h8,10,15H,1-7H2,(H,13,14)
InChIKeyQMPLJNIYJDLHIV-UHFFFAOYSA-N
XLogP1.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.89
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]cyclopropanesulfonamide?
The IUPAC name of N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide (CID 11623617) is N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide is O=S(=O)(Nc1nc(CC2(O)CCCC2)cs1)C1CC1.
What is the InChIKey of N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide?
The InChIKey is QMPLJNIYJDLHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c15-12(5-1-2-6-12)7-9-8-18-11(13-9)14-19(16,17)10-3-4-10/h8,10,15H,1-7H2,(H,13,14).
What are the key properties of N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide?
N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.89, 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]cyclopropanesulfonamide is sourced from PubChem (CID 11623617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).