(5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H28N4O2S — CID 97136329

IUPAC(5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1nnsc1C(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H28N4O2S/c1-2-5-15-16(26-21-20-15)17(24)23-11-9-19(13-23)8-4-10-22(18(19)25)12-14-6-3-7-14/h14H,2-13H2,1H3/t19-/m1/s1
InChIKeyGQAKBAHDZQHYLD-LJQANCHMSA-N
MW376.53 g/mol
LogP2.75
Rot. Bonds5

About (5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97136329) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is (5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97136329
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name(5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1nnsc1C(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H28N4O2S/c1-2-5-15-16(26-21-20-15)17(24)23-11-9-19(13-23)8-4-10-22(18(19)25)12-14-6-3-7-14/h14H,2-13H2,1H3/t19-/m1/s1
InChIKeyGQAKBAHDZQHYLD-LJQANCHMSA-N
XLogP2.75
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72883794
(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195518
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
(5R)-7-(cyclobutylmethyl)-2-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126454370
(5R)-7-(cyclobutylmethyl)-2-(1-methyl-6-oxopyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97122026
(5S)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97110657
(5R)-7-(cyclohexylmethyl)-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26331163
N-[2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 26405192
(5S)-2-(5-chlorofuran-2-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97133928
(5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126424492
(5R)-7-(cyclobutylmethyl)-2-[3-(1-methylpyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26404662
5-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 72870546

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97136329) is (5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCCc1nnsc1C(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of (5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GQAKBAHDZQHYLD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-2-5-15-16(26-21-20-15)17(24)23-11-9-19(13-23)8-4-10-22(18(19)25)12-14-6-3-7-14/h14H,2-13H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 376.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97136329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).