[1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine

C14H29NO2S — CID 65425267

IUPAC[1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(CCCS(C)(=O)=O)CC1
InChIInChI=1S/C14H29NO2S/c1-12(2)13-5-8-14(11-15,9-6-13)7-4-10-18(3,16)17/h12-13H,4-11,15H2,1-3H3
InChIKeyXCRKQQMYKIVAPB-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.60
Rot. Bonds6

About [1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine

[1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 65425267) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is [1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID65425267
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name[1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(CCCS(C)(=O)=O)CC1
InChIInChI=1S/C14H29NO2S/c1-12(2)13-5-8-14(11-15,9-6-13)7-4-10-18(3,16)17/h12-13H,4-11,15H2,1-3H3
InChIKeyXCRKQQMYKIVAPB-UHFFFAOYSA-N
XLogP2.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine (CID 65425267) is [1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(CCCS(C)(=O)=O)CC1.
What is the InChIKey of [1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is XCRKQQMYKIVAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-12(2)13-5-8-14(11-15,9-6-13)7-4-10-18(3,16)17/h12-13H,4-11,15H2,1-3H3.
What are the key properties of [1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine?
[1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 275.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 65425267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).