1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone

C14H25N3OS — CID 4642075

IUPAC1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone
SMILESCC1CC(C)(C)NC(=S)N1CC(=O)N1CCCCC1
InChIInChI=1S/C14H25N3OS/c1-11-9-14(2,3)15-13(19)17(11)10-12(18)16-7-5-4-6-8-16/h11H,4-10H2,1-3H3,(H,15,19)
InChIKeyFJYWQQUJEAMSME-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.75
Rot. Bonds2

About 1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone

1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone (PubChem CID 4642075) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone
PubChem CID4642075
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone
SMILESCC1CC(C)(C)NC(=S)N1CC(=O)N1CCCCC1
InChIInChI=1S/C14H25N3OS/c1-11-9-14(2,3)15-13(19)17(11)10-12(18)16-7-5-4-6-8-16/h11H,4-10H2,1-3H3,(H,15,19)
InChIKeyFJYWQQUJEAMSME-UHFFFAOYSA-N
XLogP1.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone
CID 3264280
1-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-[(6S)-4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl]ethanone
CID 92653491
1-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-[(6R)-4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl]ethanone
CID 92653490
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
N-(4-propan-2-ylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
CID 4146087
(5R,6R)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571777
(5R,6S)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571778
(5S)-5-[3-[4-[2-(azepan-1-yl)acetyl]-1,4-diazepan-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 134700248
3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51138847
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone (CID 4642075) is 1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone is CC1CC(C)(C)NC(=S)N1CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone?
The InChIKey is FJYWQQUJEAMSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11-9-14(2,3)15-13(19)17(11)10-12(18)16-7-5-4-6-8-16/h11H,4-10H2,1-3H3,(H,15,19).
What are the key properties of 1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone?
1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone has a molecular weight of 283.44 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone is sourced from PubChem (CID 4642075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).