1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine

C12H25NO2S — CID 70331855

IUPAC1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine
SMILESCCC(C)(C)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-4-11(2,3)16(14,15)10-12(13)8-6-5-7-9-12/h4-10,13H2,1-3H3
InChIKeyKXHTUYHNHGTTQE-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine

1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine (PubChem CID 70331855) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine
PubChem CID70331855
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine
SMILESCCC(C)(C)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-4-11(2,3)16(14,15)10-12(13)8-6-5-7-9-12/h4-10,13H2,1-3H3
InChIKeyKXHTUYHNHGTTQE-UHFFFAOYSA-N
XLogP2.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine (CID 70331855) is 1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine is CCC(C)(C)S(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine?
The InChIKey is KXHTUYHNHGTTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-11(2,3)16(14,15)10-12(13)8-6-5-7-9-12/h4-10,13H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine?
1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 70331855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).