(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone

C19H24N4OS — CID 3233265

IUPAC(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H24N4OS/c24-18(17-15-25-21-20-17)23-12-8-19(9-13-23)6-10-22(11-7-19)14-16-4-2-1-3-5-16/h1-5,15H,6-14H2
InChIKeyXIZXQWKBXFVHKB-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.06
Rot. Bonds3

About (9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone

(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone (PubChem CID 3233265) has the molecular formula C19H24N4OS and a molecular weight of 356.49 g/mol. Its IUPAC name is (9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone
PubChem CID3233265
Molecular FormulaC19H24N4OS
Molecular Weight356.49 g/mol
Exact Mass356.17
IUPAC Name(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H24N4OS/c24-18(17-15-25-21-20-17)23-12-8-19(9-13-23)6-10-22(11-7-19)14-16-4-2-1-3-5-16/h1-5,15H,6-14H2
InChIKeyXIZXQWKBXFVHKB-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone (CID 3233265) is (9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of (9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is XIZXQWKBXFVHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-18(17-15-25-21-20-17)23-12-8-19(9-13-23)6-10-22(11-7-19)14-16-4-2-1-3-5-16/h1-5,15H,6-14H2.
What are the key properties of (9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone?
(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 356.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 3233265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).