N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine

C14H29NO2S — CID 104584284

IUPACN-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H29NO2S/c1-4-18(16,17)11-12(2)15-13(3)14-9-7-5-6-8-10-14/h12-15H,4-11H2,1-3H3/t12?,13-/m1/s1
InChIKeyKJEKNCBZNAAULG-ZGTCLIOFSA-N
MW275.46 g/mol
LogP2.76
Rot. Bonds6

About N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine

N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine (PubChem CID 104584284) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine
PubChem CID104584284
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H29NO2S/c1-4-18(16,17)11-12(2)15-13(3)14-9-7-5-6-8-10-14/h12-15H,4-11H2,1-3H3/t12?,13-/m1/s1
InChIKeyKJEKNCBZNAAULG-ZGTCLIOFSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-1-methylsulfonylpropan-2-amine
CID 81385766
N-[(1R)-1-cycloheptylethyl]heptan-2-amine
CID 81390133
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine
CID 104866870
3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid
CID 81385050
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
(2R)-2-(1-cyclopentylethylamino)propan-1-ol
CID 114987079
N-(1-cyclopentylethyl)-4-methylpentan-2-amine
CID 62632621
N-[(1S)-1-cyclopentylethyl]-4-methylpentan-2-amine
CID 81386383
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43761162
1-cyclobutyl-N-(1-cyclopentylethyl)propan-2-amine
CID 115720167

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine?
The IUPAC name of N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine (CID 104584284) is N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine is CCS(=O)(=O)CC(C)N[C@H](C)C1CCCCCC1.
What is the InChIKey of N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine?
The InChIKey is KJEKNCBZNAAULG-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-4-18(16,17)11-12(2)15-13(3)14-9-7-5-6-8-10-14/h12-15H,4-11H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine?
N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine has a molecular weight of 275.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 104584284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).