N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H19NO2S2 — CID 64645604

IUPACN-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H19NO2S2/c1-2-17-16-13-7-4-3-6-12(13)9-10-14(16)21(18,19)15-8-5-11-20-15/h3-8,11,14,16-17H,2,9-10H2,1H3
InChIKeyWQTJPAQTQKHELS-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.19
Rot. Bonds4

About N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64645604) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64645604
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC NameN-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H19NO2S2/c1-2-17-16-13-7-4-3-6-12(13)9-10-14(16)21(18,19)15-8-5-11-20-15/h3-8,11,14,16-17H,2,9-10H2,1H3
InChIKeyWQTJPAQTQKHELS-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63773845
N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62917722
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
(2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol
CID 97107782
N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64646395
N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659795
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide
CID 103825580
N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758491
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine
CID 64753066
N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759610

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64645604) is N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2CCC1S(=O)(=O)c1cccs1.
What is the InChIKey of N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WQTJPAQTQKHELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-2-17-16-13-7-4-3-6-12(13)9-10-14(16)21(18,19)15-8-5-11-20-15/h3-8,11,14,16-17H,2,9-10H2,1H3.
What are the key properties of N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 321.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64645604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).