2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine

C11H21NO3S — CID 106495993

IUPAC2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
SMILESNC1CCCCC1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H21NO3S/c12-10-5-1-2-6-11(10)16(13,14)8-9-4-3-7-15-9/h9-11H,1-8,12H2
InChIKeyGROGKBGYQKJNMO-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.85
Rot. Bonds3

About 2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine

2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine (PubChem CID 106495993) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
PubChem CID106495993
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
SMILESNC1CCCCC1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H21NO3S/c12-10-5-1-2-6-11(10)16(13,14)8-9-4-3-7-15-9/h9-11H,1-8,12H2
InChIKeyGROGKBGYQKJNMO-UHFFFAOYSA-N
XLogP0.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
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CID 64560160
2-propylsulfonylcyclohexan-1-amine
CID 64645702
2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one
CID 106497045
2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
CID 81202083
(2R)-2-ethyloxolane
CID 641529
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
CID 106513640
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine?
The IUPAC name of 2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine (CID 106495993) is 2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine is NC1CCCCC1S(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine?
The InChIKey is GROGKBGYQKJNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c12-10-5-1-2-6-11(10)16(13,14)8-9-4-3-7-15-9/h9-11H,1-8,12H2.
What are the key properties of 2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine?
2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine has a molecular weight of 247.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine is sourced from PubChem (CID 106495993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).