(3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H28N4OS — CID 95871477

IUPAC(3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1nccs1
InChIInChI=1S/C17H28N4OS/c1-3-7-21-13-17(4-8-20(2)9-5-17)11-14(21)16(22)19-12-15-18-6-10-23-15/h6,10,14H,3-5,7-9,11-13H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyJUAPMWLUMJPVKJ-CQSZACIVSA-N
MW336.50 g/mol
LogP1.96
Rot. Bonds5

About (3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95871477) has the molecular formula C17H28N4OS and a molecular weight of 336.50 g/mol. Its IUPAC name is (3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95871477
Molecular FormulaC17H28N4OS
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC Name(3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1nccs1
InChIInChI=1S/C17H28N4OS/c1-3-7-21-13-17(4-8-20(2)9-5-17)11-14(21)16(22)19-12-15-18-6-10-23-15/h6,10,14H,3-5,7-9,11-13H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyJUAPMWLUMJPVKJ-CQSZACIVSA-N
XLogP1.96
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95871477) is (3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1nccs1.
What is the InChIKey of (3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is JUAPMWLUMJPVKJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-3-7-21-13-17(4-8-20(2)9-5-17)11-14(21)16(22)19-12-15-18-6-10-23-15/h6,10,14H,3-5,7-9,11-13H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95871477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).