2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C18H30N4O3S — CID 26141554

IUPAC2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN([C@H]1CCSC1)CC2
InChIInChI=1S/C18H30N4O3S/c1-13(2)3-7-22-17(25)21(11-15(19)23)16(24)18(22)5-8-20(9-6-18)14-4-10-26-12-14/h13-14H,3-12H2,1-2H3,(H2,19,23)/t14-/m0/s1
InChIKeyXTHBAJKNIVLFOG-AWEZNQCLSA-N
MW382.53 g/mol
LogP1.12
Rot. Bonds6

About 2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 26141554) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID26141554
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN([C@H]1CCSC1)CC2
InChIInChI=1S/C18H30N4O3S/c1-13(2)3-7-22-17(25)21(11-15(19)23)16(24)18(22)5-8-20(9-6-18)14-4-10-26-12-14/h13-14H,3-12H2,1-2H3,(H2,19,23)/t14-/m0/s1
InChIKeyXTHBAJKNIVLFOG-AWEZNQCLSA-N
XLogP1.12
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-8-(thiolan-3-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45163261
1-(2-methoxyethyl)-3-(2-phenylethyl)-8-(thiolan-3-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45159376
2-[8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 26213593
3-[3-(dimethylamino)propyl]-1-(2-phenylethyl)-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26228838
1-benzyl-3-(2-methoxyethyl)-8-(thiolan-3-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45164615
2-[2,4-dioxo-1-(2-phenylethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 45164830
ethyl 4-[1-(3-methylbutyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]piperidine-1-carboxylate
CID 26136372
1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-8-(thiolan-3-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45160699
1-ethyl-3-(3-pyridin-3-ylpropyl)-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136624
2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 26229853
8-[(4-chlorophenyl)methyl]-3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224538
8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214207

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of 2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 26141554) is 2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for 2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for 2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN([C@H]1CCSC1)CC2.
What is the InChIKey of 2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is XTHBAJKNIVLFOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-13(2)3-7-22-17(25)21(11-15(19)23)16(24)18(22)5-8-20(9-6-18)14-4-10-26-12-14/h13-14H,3-12H2,1-2H3,(H2,19,23)/t14-/m0/s1.
What are the key properties of 2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 382.53 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 26141554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).