(3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H31N3OS — CID 95874939

IUPAC(3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1ccc(C)s1
InChIInChI=1S/C19H31N3OS/c1-4-9-22-14-19(7-10-21(3)11-8-19)12-17(22)18(23)20-13-16-6-5-15(2)24-16/h5-6,17H,4,7-14H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyINBKBNKIEMLWMT-QGZVFWFLSA-N
MW349.54 g/mol
LogP2.87
Rot. Bonds5

About (3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95874939) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is (3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95874939
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name(3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1ccc(C)s1
InChIInChI=1S/C19H31N3OS/c1-4-9-22-14-19(7-10-21(3)11-8-19)12-17(22)18(23)20-13-16-6-5-15(2)24-16/h5-6,17H,4,7-14H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyINBKBNKIEMLWMT-QGZVFWFLSA-N
XLogP2.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95874939) is (3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1ccc(C)s1.
What is the InChIKey of (3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is INBKBNKIEMLWMT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-4-9-22-14-19(7-10-21(3)11-8-19)12-17(22)18(23)20-13-16-6-5-15(2)24-16/h5-6,17H,4,7-14H2,1-3H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 349.54 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95874939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).