6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one

C16H17N3O2S — CID 73264338

IUPAC6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one
SMILESNC1CC(=O)NC(SCC(=O)c2cccc3ccccc23)N1
InChIInChI=1S/C16H17N3O2S/c17-14-8-15(21)19-16(18-14)22-9-13(20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14,16,18H,8-9,17H2,(H,19,21)
InChIKeyNASXVUIQNVZMGH-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.43
Rot. Bonds4

About 6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one

6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one (PubChem CID 73264338) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one
PubChem CID73264338
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one
SMILESNC1CC(=O)NC(SCC(=O)c2cccc3ccccc23)N1
InChIInChI=1S/C16H17N3O2S/c17-14-8-15(21)19-16(18-14)22-9-13(20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14,16,18H,8-9,17H2,(H,19,21)
InChIKeyNASXVUIQNVZMGH-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenacylsulfanyl-6-phenyl-1,3-diazinan-4-one
CID 78208401
2-tert-butylsulfanyl-1-naphthalen-1-ylethanone
CID 60645589
6-amino-2-[(3-bromophenyl)methylsulfanyl]-1,3-diazinan-4-one
CID 78223760
N-(6-oxopiperidin-3-yl)naphthalene-1-carboxamide
CID 62491603
2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 78208831
2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685105
2-[(4-methoxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide
CID 78411748
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone
CID 102893582
2-(cyclopropylamino)-1-naphthalen-1-ylethanone
CID 116555226
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685103
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one?
The IUPAC name of 6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one (CID 73264338) is 6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one.
What is the SMILES notation for 6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one?
The canonical SMILES for 6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one is NC1CC(=O)NC(SCC(=O)c2cccc3ccccc23)N1.
What is the InChIKey of 6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one?
The InChIKey is NASXVUIQNVZMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c17-14-8-15(21)19-16(18-14)22-9-13(20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14,16,18H,8-9,17H2,(H,19,21).
What are the key properties of 6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one?
6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one has a molecular weight of 315.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one is sourced from PubChem (CID 73264338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).