1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine

C14H29NO2S — CID 106734177

IUPAC1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC1(N)CCCCCCC1
InChIInChI=1S/C14H29NO2S/c1-13(2,3)18(16,17)12-11-14(15)9-7-5-4-6-8-10-14/h4-12,15H2,1-3H3
InChIKeyIEJRISBULYJQGT-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.03
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine

1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine (PubChem CID 106734177) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine
PubChem CID106734177
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC1(N)CCCCCCC1
InChIInChI=1S/C14H29NO2S/c1-13(2,3)18(16,17)12-11-14(15)9-7-5-4-6-8-10-14/h4-12,15H2,1-3H3
InChIKeyIEJRISBULYJQGT-UHFFFAOYSA-N
XLogP3.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Aminocyclooctyl)methanesulfonyl fluoride
CID 165565349
1-[(2R)-1,1-dioxothian-2-yl]cyclohexan-1-amine
CID 46205115
1-(2-Methanesulfonylethyl)cyclopentan-1-amine
CID 62621415
1-(Ethylsulfonylmethyl)cyclohexan-1-amine
CID 68201760
1-(Butylsulfonylmethyl)cyclohexan-1-amine
CID 68201777
1-(3-Methylbutylsulfonylmethyl)cyclohexan-1-amine
CID 68201832
1-(Tert-butylsulfonylmethyl)cyclohexan-1-amine
CID 70271120
1-[(1R)-1-tert-butylsulfonylethyl]cyclohexan-1-amine
CID 70271124
1-((Methylsulfonyl)methyl)cyclohexanamine
CID 70331586
1-(2-Methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine
CID 70331855
1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine
CID 70905570
1-(Propylsulfonylmethyl)cyclohexan-1-amine
CID 70905684

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine (CID 106734177) is 1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine is CC(C)(C)S(=O)(=O)CCC1(N)CCCCCCC1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine?
The InChIKey is IEJRISBULYJQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-13(2,3)18(16,17)12-11-14(15)9-7-5-4-6-8-10-14/h4-12,15H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine?
1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine is sourced from PubChem (CID 106734177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).