2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine

C13H27NO2S — CID 104926952

IUPAC2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine
SMILESCC1CCCCCC1NCCS(=O)(=O)C(C)C
InChIInChI=1S/C13H27NO2S/c1-11(2)17(15,16)10-9-14-13-8-6-4-5-7-12(13)3/h11-14H,4-10H2,1-3H3
InChIKeyVANOHERZVOSLNJ-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds5

About 2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine

2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine (PubChem CID 104926952) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine
PubChem CID104926952
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine
SMILESCC1CCCCCC1NCCS(=O)(=O)C(C)C
InChIInChI=1S/C13H27NO2S/c1-11(2)17(15,16)10-9-14-13-8-6-4-5-7-12(13)3/h11-14H,4-10H2,1-3H3
InChIKeyVANOHERZVOSLNJ-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106723838
N-(2-propan-2-ylsulfonylethyl)cyclobutanamine
CID 106723621
2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106723715
3-methyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106724576
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine
CID 106513603
N-(2-methylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 65046367
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
CID 107757330
ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730
4-[(2-methylcyclopentyl)amino]butan-2-ol
CID 65046023
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
CID 112589213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine?
The IUPAC name of 2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine (CID 104926952) is 2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine?
The canonical SMILES for 2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine is CC1CCCCCC1NCCS(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine?
The InChIKey is VANOHERZVOSLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-11(2)17(15,16)10-9-14-13-8-6-4-5-7-12(13)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine?
2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine is sourced from PubChem (CID 104926952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).