N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C19H25N5O2S — CID 155596985

IUPACN-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESC[C@H](Sc1nncn1C)c1cccc(NC(=O)N2CCOC3(CCC3)C2)c1
InChIInChI=1S/C19H25N5O2S/c1-14(27-18-22-20-13-23(18)2)15-5-3-6-16(11-15)21-17(25)24-9-10-26-19(12-24)7-4-8-19/h3,5-6,11,13-14H,4,7-10,12H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyRCIXEMRDIHLIST-AWEZNQCLSA-N
MW387.51 g/mol
LogP3.46
Rot. Bonds4

About N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 155596985) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID155596985
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC NameN-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESC[C@H](Sc1nncn1C)c1cccc(NC(=O)N2CCOC3(CCC3)C2)c1
InChIInChI=1S/C19H25N5O2S/c1-14(27-18-22-20-13-23(18)2)15-5-3-6-16(11-15)21-17(25)24-9-10-26-19(12-24)7-4-8-19/h3,5-6,11,13-14H,4,7-10,12H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyRCIXEMRDIHLIST-AWEZNQCLSA-N
XLogP3.46
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 155596985) is N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is C[C@H](Sc1nncn1C)c1cccc(NC(=O)N2CCOC3(CCC3)C2)c1.
What is the InChIKey of N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is RCIXEMRDIHLIST-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14(27-18-22-20-13-23(18)2)15-5-3-6-16(11-15)21-17(25)24-9-10-26-19(12-24)7-4-8-19/h3,5-6,11,13-14H,4,7-10,12H2,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 155596985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).