[2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine

C11H23NO2S2 — CID 106734087

IUPAC[2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine
SMILESCC(C)(C)S(=O)(=O)CCC1(CN)CCCS1
InChIInChI=1S/C11H23NO2S2/c1-10(2,3)16(13,14)8-6-11(9-12)5-4-7-15-11/h4-9,12H2,1-3H3
InChIKeyMZMCEDJNLCRCHI-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.81
Rot. Bonds4

About [2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine

[2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine (PubChem CID 106734087) has the molecular formula C11H23NO2S2 and a molecular weight of 265.44 g/mol. Its IUPAC name is [2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine
PubChem CID106734087
Molecular FormulaC11H23NO2S2
Molecular Weight265.44 g/mol
Exact Mass265.12
IUPAC Name[2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine
SMILESCC(C)(C)S(=O)(=O)CCC1(CN)CCCS1
InChIInChI=1S/C11H23NO2S2/c1-10(2,3)16(13,14)8-6-11(9-12)5-4-7-15-11/h4-9,12H2,1-3H3
InChIKeyMZMCEDJNLCRCHI-UHFFFAOYSA-N
XLogP1.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine
CID 106733843
1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine
CID 106734177
(2-dodecylthiolan-2-yl)methanamine
CID 83174026
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine
CID 104568555
1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane
CID 106798674
[2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine
CID 103184863
1-(tert-butylsulfonylmethyl)cyclopropan-1-amine
CID 84772132
3-(2-tert-butylsulfonylethyl)-3-methyloxetane
CID 160692118
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
CID 106729852
[2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine
CID 83173206
[2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine
CID 83173845
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106729855

Frequently Asked Questions

What is the IUPAC name of [2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine?
The IUPAC name of [2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine (CID 106734087) is [2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine.
What is the SMILES notation for [2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine?
The canonical SMILES for [2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine is CC(C)(C)S(=O)(=O)CCC1(CN)CCCS1.
What is the InChIKey of [2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine?
The InChIKey is MZMCEDJNLCRCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S2/c1-10(2,3)16(13,14)8-6-11(9-12)5-4-7-15-11/h4-9,12H2,1-3H3.
What are the key properties of [2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine?
[2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine is sourced from PubChem (CID 106734087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).