8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide

C23H38N4O2S — CID 4553663

IUPAC8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide
SMILESCCC(C)NC(=O)C1CSC2(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)N1
InChIInChI=1S/C23H38N4O2S/c1-3-15(2)24-20(28)19-14-30-23(25-19)4-6-27(7-5-23)21(29)26-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-19,25H,3-14H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyZFLGOERCIKBDGB-UHFFFAOYSA-N
MW434.65 g/mol
LogP3.08
Rot. Bonds4

About 8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide

8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide (PubChem CID 4553663) has the molecular formula C23H38N4O2S and a molecular weight of 434.65 g/mol. Its IUPAC name is 8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide
PubChem CID4553663
Molecular FormulaC23H38N4O2S
Molecular Weight434.65 g/mol
Exact Mass434.27
IUPAC Name8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide
SMILESCCC(C)NC(=O)C1CSC2(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)N1
InChIInChI=1S/C23H38N4O2S/c1-3-15(2)24-20(28)19-14-30-23(25-19)4-6-27(7-5-23)21(29)26-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-19,25H,3-14H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyZFLGOERCIKBDGB-UHFFFAOYSA-N
XLogP3.08
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.65
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-8-(3-methylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 4013988
N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42775612
N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 3428060
(3S)-N-[(2S)-butan-2-yl]-8-(4-pentylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 7339020
(3S)-N-[(2R)-butan-2-yl]-8-(3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 7301953
1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308
8-N-(3-bromophenyl)-3-N-(2-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide
CID 42775676
N-(1-adamantyl)-3-methylpiperidine-1-carboxamide
CID 5141458
N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide
CID 108895998
N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide
CID 163438818
8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42775796
methyl (3R)-8-(2,2-dimethylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
CID 169318337

Frequently Asked Questions

What is the IUPAC name of 8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide?
The IUPAC name of 8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide (CID 4553663) is 8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide.
What is the SMILES notation for 8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide?
The canonical SMILES for 8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide is CCC(C)NC(=O)C1CSC2(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)N1.
What is the InChIKey of 8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide?
The InChIKey is ZFLGOERCIKBDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2S/c1-3-15(2)24-20(28)19-14-30-23(25-19)4-6-27(7-5-23)21(29)26-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-19,25H,3-14H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of 8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide?
8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide has a molecular weight of 434.65 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide is sourced from PubChem (CID 4553663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).