N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide

C15H25N3O3S2 — CID 98896674

IUPACN-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
SMILESCc1ncsc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2
InChIInChI=1S/C15H25N3O3S2/c1-12-14(22-11-16-12)10-18-6-4-15(5-7-18)9-13(3-8-21-15)17-23(2,19)20/h11,13,17H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyRHKOVOSSZAEQHI-ZDUSSCGKSA-N
MW359.52 g/mol
LogP1.51
Rot. Bonds4

About N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide

N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide (PubChem CID 98896674) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
PubChem CID98896674
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC NameN-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
SMILESCc1ncsc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2
InChIInChI=1S/C15H25N3O3S2/c1-12-14(22-11-16-12)10-18-6-4-15(5-7-18)9-13(3-8-21-15)17-23(2,19)20/h11,13,17H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyRHKOVOSSZAEQHI-ZDUSSCGKSA-N
XLogP1.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The IUPAC name of N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide (CID 98896674) is N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide.
What is the SMILES notation for N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The canonical SMILES for N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide is Cc1ncsc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2.
What is the InChIKey of N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The InChIKey is RHKOVOSSZAEQHI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-12-14(22-11-16-12)10-18-6-4-15(5-7-18)9-13(3-8-21-15)17-23(2,19)20/h11,13,17H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide has a molecular weight of 359.52 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide is sourced from PubChem (CID 98896674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).