N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine

C13H27NO3S — CID 106722536

IUPACN-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine
SMILESCCNC1CCC(OCCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C13H27NO3S/c1-4-14-12-5-7-13(8-6-12)17-9-10-18(15,16)11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyJRIYQFOVJMNUEB-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.75
Rot. Bonds7

About N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine

N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine (PubChem CID 106722536) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine
PubChem CID106722536
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC NameN-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine
SMILESCCNC1CCC(OCCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C13H27NO3S/c1-4-14-12-5-7-13(8-6-12)17-9-10-18(15,16)11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyJRIYQFOVJMNUEB-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,1-Dioxothiolan-3-yl)amino]cyclohexan-1-ol
CID 16785097
4-(2-Propan-2-ylsulfonylethylamino)cyclohexan-1-ol
CID 57992763
4-(2-Methylsulfonylethoxy)cyclohexan-1-amine
CID 62807210
4-(3-Methylsulfonylpropoxy)cyclohexan-1-amine
CID 63191393
N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]ethanesulfonamide
CID 70020894
4-(2-Methylsulfonylethylamino)cyclohexan-1-ol
CID 70946592
2-(2-methoxycyclohexyl)sulfonyl-N-methylcyclohexan-1-amine
CID 140423211
3-[(4-Methoxycyclohexyl)amino]propane-1-sulfonic acid
CID 142679215
[4-(Propylamino)cyclohexyl] methanesulfonate
CID 163816725
(1r,4r)-4-(Methylamino)cyclohexyl methanesulfonate
CID 165915000
4-(3-Methylsulfonylpropoxy)cyclohexan-1-amine;hydrochloride
CID 169159877
4-(4-Propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide
CID 176761201

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine (CID 106722536) is N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine is CCNC1CCC(OCCS(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine?
The InChIKey is JRIYQFOVJMNUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-4-14-12-5-7-13(8-6-12)17-9-10-18(15,16)11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine?
N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine is sourced from PubChem (CID 106722536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).