N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine

C14H23NO2S2 — CID 64753066

IUPACN-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H23NO2S2/c1-4-15-12-9-10(2)8-11(3)14(12)19(16,17)13-6-5-7-18-13/h5-7,10-12,14-15H,4,8-9H2,1-3H3
InChIKeyLTJNQOMYCRVUJA-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.93
Rot. Bonds4

About N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine (PubChem CID 64753066) has the molecular formula C14H23NO2S2 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine
PubChem CID64753066
Molecular FormulaC14H23NO2S2
Molecular Weight301.48 g/mol
Exact Mass301.12
IUPAC NameN-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H23NO2S2/c1-4-15-12-9-10(2)8-11(3)14(12)19(16,17)13-6-5-7-18-13/h5-7,10-12,14-15H,4,8-9H2,1-3H3
InChIKeyLTJNQOMYCRVUJA-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64736359
N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64646395
N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine
CID 107759816
N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64751898
N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64645604
(2S)-1-[[(1S,2S,4R)-2,4-dimethylcyclohexyl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol
CID 129446255
2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
CID 64752891
(3R,4S)-1,1-dioxo-N-pentyl-4-thiophen-2-ylsulfonylthiolan-3-amine
CID 124647869
3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64752897
2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64753469
ethyl 2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]acetate
CID 21005919
(3R,4S)-N-(3-methylbutyl)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-amine
CID 124647866

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine (CID 64753066) is N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine is CCNC1CC(C)CC(C)C1S(=O)(=O)c1cccs1.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine?
The InChIKey is LTJNQOMYCRVUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S2/c1-4-15-12-9-10(2)8-11(3)14(12)19(16,17)13-6-5-7-18-13/h5-7,10-12,14-15H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine has a molecular weight of 301.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 64753066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).