(3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide

C15H24N4OS — CID 97415499

IUPAC(3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC2(CCN(c3nncs3)CC2)C1
InChIInChI=1S/C15H24N4OS/c1-11(2)17-13(20)12-3-4-15(9-12)5-7-19(8-6-15)14-18-16-10-21-14/h10-12H,3-9H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyOVXBRPIBLVDYCX-GFCCVEGCSA-N
MW308.45 g/mol
LogP2.45
Rot. Bonds3

About (3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide

(3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 97415499) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID97415499
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC2(CCN(c3nncs3)CC2)C1
InChIInChI=1S/C15H24N4OS/c1-11(2)17-13(20)12-3-4-15(9-12)5-7-19(8-6-15)14-18-16-10-21-14/h10-12H,3-9H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyOVXBRPIBLVDYCX-GFCCVEGCSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
CID 97396826
2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 169304025
(2R,3R)-N-cyclobutyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 98778397
(2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493289
pyrrolidin-1-yl-[5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptan-2-yl]methanone
CID 131654574
N,4-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 115305535
2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 163352586
N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155827951
(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97484299
morpholin-4-yl-[(2S)-6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone
CID 97493487
methyl 2-[1-(2-methylpropyl)-2,4-dioxo-8-(1,3,4-thiadiazol-2-yl)-1,3,8-triazaspiro[4.5]decan-3-yl]propanoate
CID 166623329
2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole
CID 121184724

Frequently Asked Questions

What is the IUPAC name of (3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide (CID 97415499) is (3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide is CC(C)NC(=O)[C@@H]1CCC2(CCN(c3nncs3)CC2)C1.
What is the InChIKey of (3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is OVXBRPIBLVDYCX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11(2)17-13(20)12-3-4-15(9-12)5-7-19(8-6-15)14-18-16-10-21-14/h10-12H,3-9H2,1-2H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide?
(3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 97415499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).