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

C18H26N4O2S — CID 97134858

IUPAC(5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1nnsc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C18H26N4O2S/c1-2-4-14-15(25-20-19-14)16(23)22-10-8-18(12-22)7-3-9-21(17(18)24)11-13-5-6-13/h13H,2-12H2,1H3/t18-/m0/s1
InChIKeyGNUQSLUJIRJJPM-SFHVURJKSA-N
MW362.50 g/mol
LogP2.36
Rot. Bonds5

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

(5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97134858) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is (5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97134858
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name(5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1nnsc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C18H26N4O2S/c1-2-4-14-15(25-20-19-14)16(23)22-10-8-18(12-22)7-3-9-21(17(18)24)11-13-5-6-13/h13H,2-12H2,1H3/t18-/m0/s1
InChIKeyGNUQSLUJIRJJPM-SFHVURJKSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97134858) is (5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCCc1nnsc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GNUQSLUJIRJJPM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-2-4-14-15(25-20-19-14)16(23)22-10-8-18(12-22)7-3-9-21(17(18)24)11-13-5-6-13/h13H,2-12H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.50 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclopropylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97134858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).