N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine

C14H30N2O2S — CID 106721500

IUPACN-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine
SMILESCCNC(C)C1CCCCN1CCS(=O)(=O)C(C)C
InChIInChI=1S/C14H30N2O2S/c1-5-15-13(4)14-8-6-7-9-16(14)10-11-19(17,18)12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyYYCHCUJAVMCZRD-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.66
Rot. Bonds7

About N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine

N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine (PubChem CID 106721500) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine
PubChem CID106721500
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine
SMILESCCNC(C)C1CCCCN1CCS(=O)(=O)C(C)C
InChIInChI=1S/C14H30N2O2S/c1-5-15-13(4)14-8-6-7-9-16(14)10-11-19(17,18)12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyYYCHCUJAVMCZRD-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
2-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 72716379
N-(piperidin-3-yl)ethane-1-sulfonamide
CID 18069591
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
CID 56700520
N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 71988847
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
1-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperazine
CID 46785848
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
CID 123302264
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoro-1-pentylpiperidin-3-amine
CID 156092361
Piperazine-1-heptanesulfonic acid
CID 172879201
2-[1-(Piperidin-2-yl)ethyl]-1lambda6,2-thiazolidine-1,1-dione
CID 43523037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine (CID 106721500) is N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine is CCNC(C)C1CCCCN1CCS(=O)(=O)C(C)C.
What is the InChIKey of N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine?
The InChIKey is YYCHCUJAVMCZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-15-13(4)14-8-6-7-9-16(14)10-11-19(17,18)12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine?
N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine has a molecular weight of 290.47 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 106721500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).