3-(3-methoxycyclohexyl)sulfonylpropan-1-amine

C10H21NO3S — CID 81187349

IUPAC3-(3-methoxycyclohexyl)sulfonylpropan-1-amine
SMILESCOC1CCCC(S(=O)(=O)CCCN)C1
InChIInChI=1S/C10H21NO3S/c1-14-9-4-2-5-10(8-9)15(12,13)7-3-6-11/h9-10H,2-8,11H2,1H3
InChIKeyOBDZNICAHONWDN-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.71
Rot. Bonds5

About 3-(3-methoxycyclohexyl)sulfonylpropan-1-amine

3-(3-methoxycyclohexyl)sulfonylpropan-1-amine (PubChem CID 81187349) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-(3-methoxycyclohexyl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxycyclohexyl)sulfonylpropan-1-amine
PubChem CID81187349
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-(3-methoxycyclohexyl)sulfonylpropan-1-amine
SMILESCOC1CCCC(S(=O)(=O)CCCN)C1
InChIInChI=1S/C10H21NO3S/c1-14-9-4-2-5-10(8-9)15(12,13)7-3-6-11/h9-10H,2-8,11H2,1H3
InChIKeyOBDZNICAHONWDN-UHFFFAOYSA-N
XLogP0.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxycyclohexyl)sulfonylpropan-1-amine?
The IUPAC name of 3-(3-methoxycyclohexyl)sulfonylpropan-1-amine (CID 81187349) is 3-(3-methoxycyclohexyl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxycyclohexyl)sulfonylpropan-1-amine?
The canonical SMILES for 3-(3-methoxycyclohexyl)sulfonylpropan-1-amine is COC1CCCC(S(=O)(=O)CCCN)C1.
What is the InChIKey of 3-(3-methoxycyclohexyl)sulfonylpropan-1-amine?
The InChIKey is OBDZNICAHONWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-14-9-4-2-5-10(8-9)15(12,13)7-3-6-11/h9-10H,2-8,11H2,1H3.
What are the key properties of 3-(3-methoxycyclohexyl)sulfonylpropan-1-amine?
3-(3-methoxycyclohexyl)sulfonylpropan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxycyclohexyl)sulfonylpropan-1-amine is sourced from PubChem (CID 81187349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).