N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine

C14H21NO4S2 — CID 64646395

IUPACN-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1S(=O)(=O)c1cccs1)OCCO2
InChIInChI=1S/C14H21NO4S2/c1-2-15-11-5-6-14(18-7-8-19-14)10-12(11)21(16,17)13-4-3-9-20-13/h3-4,9,11-12,15H,2,5-8,10H2,1H3
InChIKeyQUUBZOFXXZPTIY-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.80
Rot. Bonds4

About N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine

N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64646395) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64646395
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC NameN-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1S(=O)(=O)c1cccs1)OCCO2
InChIInChI=1S/C14H21NO4S2/c1-2-15-11-5-6-14(18-7-8-19-14)10-12(11)21(16,17)13-4-3-9-20-13/h3-4,9,11-12,15H,2,5-8,10H2,1H3
InChIKeyQUUBZOFXXZPTIY-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62918057
N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64645604
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine
CID 64753066
N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64644910
(3S,4R)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-thiophen-2-ylsulfonylthiolane 1,1-dioxide
CID 20897704
N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64656262
(3R,4S)-1,1-dioxo-N-pentyl-4-thiophen-2-ylsulfonylthiolan-3-amine
CID 124647869
7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64675340
N-ethyl-7-(2-methoxyethylsulfanyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64612372
N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64628559
N-(3,3-dimethylcyclopentyl)-N-ethylthiophene-2-sulfonamide
CID 71031683
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 115559480

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 64646395) is N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine is CCNC1CCC2(CC1S(=O)(=O)c1cccs1)OCCO2.
What is the InChIKey of N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is QUUBZOFXXZPTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-2-15-11-5-6-14(18-7-8-19-14)10-12(11)21(16,17)13-4-3-9-20-13/h3-4,9,11-12,15H,2,5-8,10H2,1H3.
What are the key properties of N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 331.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64646395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).