N-naphthalen-1-yl-1,4-dithiane-2-carboxamide

C15H15NOS2 — CID 112762776

IUPACN-naphthalen-1-yl-1,4-dithiane-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CSCCS1
InChIInChI=1S/C15H15NOS2/c17-15(14-10-18-8-9-19-14)16-13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14H,8-10H2,(H,16,17)
InChIKeyBDXAACYEGYZKQG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.63
Rot. Bonds2

About N-naphthalen-1-yl-1,4-dithiane-2-carboxamide

N-naphthalen-1-yl-1,4-dithiane-2-carboxamide (PubChem CID 112762776) has the molecular formula C15H15NOS2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-naphthalen-1-yl-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1,4-dithiane-2-carboxamide
PubChem CID112762776
Molecular FormulaC15H15NOS2
Molecular Weight289.42 g/mol
Exact Mass289.06
IUPAC NameN-naphthalen-1-yl-1,4-dithiane-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CSCCS1
InChIInChI=1S/C15H15NOS2/c17-15(14-10-18-8-9-19-14)16-13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14H,8-10H2,(H,16,17)
InChIKeyBDXAACYEGYZKQG-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N-naphthalen-1-ylpiperidine-4-carboxamide
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N,N'-dinaphthalen-1-ylbutanediamide
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CID 103549777
(1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7271639
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-amino-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 10015912
(1S,6S)-6-(naphthalen-1-ylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 6944650
(1R,6S)-6-(naphthalen-1-ylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 6944652

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1,4-dithiane-2-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1,4-dithiane-2-carboxamide (CID 112762776) is N-naphthalen-1-yl-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1,4-dithiane-2-carboxamide is O=C(Nc1cccc2ccccc12)C1CSCCS1.
What is the InChIKey of N-naphthalen-1-yl-1,4-dithiane-2-carboxamide?
The InChIKey is BDXAACYEGYZKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS2/c17-15(14-10-18-8-9-19-14)16-13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14H,8-10H2,(H,16,17).
What are the key properties of N-naphthalen-1-yl-1,4-dithiane-2-carboxamide?
N-naphthalen-1-yl-1,4-dithiane-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 112762776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).