1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine

C17H25NO2S — CID 115865498

IUPAC1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H25NO2S/c1-2-21(19,20)11-5-8-15(18)17-14-10-9-12-6-3-4-7-13(12)16(14)17/h3-4,6-7,14-17H,2,5,8-11,18H2,1H3
InChIKeyAPTXOJMYALMWKQ-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.50
Rot. Bonds6

About 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine (PubChem CID 115865498) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine
PubChem CID115865498
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H25NO2S/c1-2-21(19,20)11-5-8-15(18)17-14-10-9-12-6-3-4-7-13(12)16(14)17/h3-4,6-7,14-17H,2,5,8-11,18H2,1H3
InChIKeyAPTXOJMYALMWKQ-UHFFFAOYSA-N
XLogP2.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-methylsulfonylbutan-1-amine
CID 115820859
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine
CID 115835676
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820368
1-(3,4-dihydro-1H-isochromen-1-yl)-4-ethylsulfonylbutan-1-amine
CID 105152487
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-ol
CID 115784012
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine
CID 115778284
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
CID 115779942
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841207
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-5-methylhexan-1-amine
CID 105029069
1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
CID 65403955
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-ethylcyclohexyl)methanol
CID 115807350

Frequently Asked Questions

What is the IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine?
The IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine (CID 115865498) is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine?
The canonical SMILES for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine is CCS(=O)(=O)CCCC(N)C1C2CCc3ccccc3C21.
What is the InChIKey of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine?
The InChIKey is APTXOJMYALMWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-2-21(19,20)11-5-8-15(18)17-14-10-9-12-6-3-4-7-13(12)16(14)17/h3-4,6-7,14-17H,2,5,8-11,18H2,1H3.
What are the key properties of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine?
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine has a molecular weight of 307.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine is sourced from PubChem (CID 115865498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).