1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine

C12H25NO2S — CID 59677815

IUPAC1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCS(=O)(=O)CC1(NC(C)C)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-4-16(14,15)10-12(13-11(2)3)8-6-5-7-9-12/h11,13H,4-10H2,1-3H3
InChIKeySEQCQXIKIOABRY-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.12
Rot. Bonds5

About 1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine

1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 59677815) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID59677815
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCS(=O)(=O)CC1(NC(C)C)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-4-16(14,15)10-12(13-11(2)3)8-6-5-7-9-12/h11,13H,4-10H2,1-3H3
InChIKeySEQCQXIKIOABRY-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine (CID 59677815) is 1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine is CCS(=O)(=O)CC1(NC(C)C)CCCCC1.
What is the InChIKey of 1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is SEQCQXIKIOABRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-16(14,15)10-12(13-11(2)3)8-6-5-7-9-12/h11,13H,4-10H2,1-3H3.
What are the key properties of 1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine?
1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 59677815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).