4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine

C15H31NO2S — CID 103826274

IUPAC4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
SMILESCCS(=O)(=O)CCNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO2S/c1-5-19(17,18)12-11-16-14-8-6-7-13(9-10-14)15(2,3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyMGLZUVRTSSIKKQ-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.01
Rot. Bonds5

About 4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine

4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine (PubChem CID 103826274) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
PubChem CID103826274
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
SMILESCCS(=O)(=O)CCNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO2S/c1-5-19(17,18)12-11-16-14-8-6-7-13(9-10-14)15(2,3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyMGLZUVRTSSIKKQ-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 54932163
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
4-(2-ethylsulfonylethylamino)cyclohexan-1-ol
CID 103710266
4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
CID 115516563
4-tert-butyl-N-pent-3-ynylcycloheptan-1-amine
CID 116643207
4-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 106427233
N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040900
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 103830760
N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
CID 8024756
4-tert-butyl-N-cyclopentylcycloheptan-1-amine
CID 65090444
2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 113261091

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine (CID 103826274) is 4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine is CCS(=O)(=O)CCNC1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine?
The InChIKey is MGLZUVRTSSIKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-5-19(17,18)12-11-16-14-8-6-7-13(9-10-14)15(2,3)4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine?
4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine is sourced from PubChem (CID 103826274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).