N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide

C18H18N2O2S — CID 169490797

IUPACN-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide
SMILESCN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)N=O
InChIInChI=1S/C18H18N2O2S/c1-20(19-21)12-11-17(18-10-5-13-23-18)22-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17H,11-12H2,1H3/t17-/m0/s1
InChIKeyRPVCVCXTFJVSSY-KRWDZBQOSA-N
MW326.42 g/mol
LogP5.02
Rot. Bonds7

About N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide

N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide (PubChem CID 169490797) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide
PubChem CID169490797
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide
SMILESCN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)N=O
InChIInChI=1S/C18H18N2O2S/c1-20(19-21)12-11-17(18-10-5-13-23-18)22-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17H,11-12H2,1H3/t17-/m0/s1
InChIKeyRPVCVCXTFJVSSY-KRWDZBQOSA-N
XLogP5.02
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 68611917
1,3-dimethyl-1,3-bis(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)urea
CID 54756197
N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamoyl iodide
CID 88909271
(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene
CID 158227741
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 159846692
4-[methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]amino]-4-oxobutanoic acid
CID 86278283
ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide
CID 144673562
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
CID 11639633
acetic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 67283492
(3S)-3-naphthalen-1-yloxy-3-thiophen-2-yl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 57383548
N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-N-methylnitrous amide
CID 169444537
bis[(1S,3S)-1-(dimethylamino)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl] oxalate
CID 68591935

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide?
The IUPAC name of N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide (CID 169490797) is N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide.
What is the SMILES notation for N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide?
The canonical SMILES for N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide is CN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)N=O.
What is the InChIKey of N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide?
The InChIKey is RPVCVCXTFJVSSY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-20(19-21)12-11-17(18-10-5-13-23-18)22-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17H,11-12H2,1H3/t17-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide?
N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide has a molecular weight of 326.42 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide is sourced from PubChem (CID 169490797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).