N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide

C14H23N3O3S2 — CID 131677448

IUPACN-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
SMILESCc1ncsc1CN1CC2(CCC(CNS(C)(=O)=O)CO2)C1
InChIInChI=1S/C14H23N3O3S2/c1-11-13(21-10-15-11)6-17-8-14(9-17)4-3-12(7-20-14)5-16-22(2,18)19/h10,12,16H,3-9H2,1-2H3
InChIKeyMSHHZVLZACVNLN-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.98
Rot. Bonds5

About N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide

N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide (PubChem CID 131677448) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
PubChem CID131677448
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
SMILESCc1ncsc1CN1CC2(CCC(CNS(C)(=O)=O)CO2)C1
InChIInChI=1S/C14H23N3O3S2/c1-11-13(21-10-15-11)6-17-8-14(9-17)4-3-12(7-20-14)5-16-22(2,18)19/h10,12,16H,3-9H2,1-2H3
InChIKeyMSHHZVLZACVNLN-UHFFFAOYSA-N
XLogP0.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide (CID 131677448) is N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide is Cc1ncsc1CN1CC2(CCC(CNS(C)(=O)=O)CO2)C1.
What is the InChIKey of N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide?
The InChIKey is MSHHZVLZACVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-11-13(21-10-15-11)6-17-8-14(9-17)4-3-12(7-20-14)5-16-22(2,18)19/h10,12,16H,3-9H2,1-2H3.
What are the key properties of N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide?
N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131677448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).