(5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C19H30N4OS — CID 97136866

IUPAC(5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1nnsc1CN1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H30N4OS/c1-14(2)17-16(25-21-20-17)12-22-10-8-19(13-22)7-4-9-23(18(19)24)11-15-5-3-6-15/h14-15H,3-13H2,1-2H3/t19-/m0/s1
InChIKeyZTSJIWDOKVVDBV-IBGZPJMESA-N
MW362.54 g/mol
LogP3.28
Rot. Bonds5

About (5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97136866) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97136866
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1nnsc1CN1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H30N4OS/c1-14(2)17-16(25-21-20-17)12-22-10-8-19(13-22)7-4-9-23(18(19)24)11-15-5-3-6-15/h14-15H,3-13H2,1-2H3/t19-/m0/s1
InChIKeyZTSJIWDOKVVDBV-IBGZPJMESA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclobutylcarbonyl)-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-4-piperidinecarboxamide
CID 72840668
1-(cyclopentylcarbonyl)-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-4-piperidinecarboxamide
CID 72914921
(5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97134858
2-[(4-Isopropyl-1,2,3-thiadiazol-5-yl)carbonyl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 50954761
1-{1-[(4-Isopropyl-1,2,3-thiadiazol-5-YL)methyl]piperidin-4-YL}pyrrolidin-2-one
CID 56862593
1-{1-[(4-Isopropyl-1,2,3-thiadiazol-5-YL)methyl]piperidin-3-YL}pyrrolidin-2-one
CID 56862814
1-{1-[(4-Isopropyl-1,2,3-thiadiazol-5-yl)carbonyl]piperidin-4-yl}pyrrolidin-2-one
CID 56870901
8-(4-Propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 65966398
9-[(4-Isopropyl-1,2,3-thiadiazol-5-YL)methyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70709297
2-(Cyclopropylmethyl)-8-[(4-isopropyl-1,2,3-thiadiazol-5-YL)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70735082
2-Cyclopentyl-8-[(4-isopropyl-1,2,3-thiadiazol-5-YL)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70771935
7-Cyclohexyl-2-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72838626

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97136866) is (5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CC(C)c1nnsc1CN1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZTSJIWDOKVVDBV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30N4OS/c1-14(2)17-16(25-21-20-17)12-22-10-8-19(13-22)7-4-9-23(18(19)24)11-15-5-3-6-15/h14-15H,3-13H2,1-2H3/t19-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.54 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97136866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).