N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide

C16H28N2O3S2 — CID 11602950

IUPACN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C2CCCCCC2)n1
InChIInChI=1S/C16H28N2O3S2/c1-3-16(19,4-2)11-13-12-22-15(17-13)18-23(20,21)14-9-7-5-6-8-10-14/h12,14,19H,3-11H2,1-2H3,(H,17,18)
InChIKeyMQVWHGBBCNMWGV-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.70
Rot. Bonds7

About N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide

N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide (PubChem CID 11602950) has the molecular formula C16H28N2O3S2 and a molecular weight of 360.55 g/mol. Its IUPAC name is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide
PubChem CID11602950
Molecular FormulaC16H28N2O3S2
Molecular Weight360.55 g/mol
Exact Mass360.15
IUPAC NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C2CCCCCC2)n1
InChIInChI=1S/C16H28N2O3S2/c1-3-16(19,4-2)11-13-12-22-15(17-13)18-23(20,21)14-9-7-5-6-8-10-14/h12,14,19H,3-11H2,1-2H3,(H,17,18)
InChIKeyMQVWHGBBCNMWGV-UHFFFAOYSA-N
XLogP3.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide?
The IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide (CID 11602950) is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide.
What is the SMILES notation for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide?
The canonical SMILES for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide is CCC(O)(CC)Cc1csc(NS(=O)(=O)C2CCCCCC2)n1.
What is the InChIKey of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide?
The InChIKey is MQVWHGBBCNMWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S2/c1-3-16(19,4-2)11-13-12-22-15(17-13)18-23(20,21)14-9-7-5-6-8-10-14/h12,14,19H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide?
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide has a molecular weight of 360.55 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cycloheptanesulfonamide is sourced from PubChem (CID 11602950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).