1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine

C11H23NO3S — CID 81189150

IUPAC1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine
SMILESCOC1CCCC(S(=O)(=O)CC(C)(C)N)C1
InChIInChI=1S/C11H23NO3S/c1-11(2,12)8-16(13,14)10-6-4-5-9(7-10)15-3/h9-10H,4-8,12H2,1-3H3
InChIKeyKQTLDPMOCYVNQB-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.10
Rot. Bonds4

About 1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine

1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine (PubChem CID 81189150) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine
PubChem CID81189150
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine
SMILESCOC1CCCC(S(=O)(=O)CC(C)(C)N)C1
InChIInChI=1S/C11H23NO3S/c1-11(2,12)8-16(13,14)10-6-4-5-9(7-10)15-3/h9-10H,4-8,12H2,1-3H3
InChIKeyKQTLDPMOCYVNQB-UHFFFAOYSA-N
XLogP1.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine
CID 66221860
2-Methyl-1-(3-methylsulfonylcyclohexyl)oxypropan-2-amine
CID 80061744
3-[(3-Methylsulfonylcyclohexyl)oxymethyl]pentan-3-amine
CID 80062128
2-Methyl-1-(3-methylsulfonylcyclohexyl)oxybutan-2-amine
CID 80062129
2-(3-Methoxycyclohexyl)sulfonylethanamine
CID 81174769
2-(3-Methoxycyclohexyl)sulfinylethanamine
CID 81174896
3-(3-Methoxycyclohexyl)sulfinylpropan-1-amine
CID 81186513
2-(3-Methoxycyclohexyl)sulfinylpropan-1-amine
CID 81186783
2-(3-Methoxycyclohexyl)sulfonylpropan-1-amine
CID 81186813
3-(3-Methoxycyclohexyl)sulfonylpropan-1-amine
CID 81187349
2-Methyl-1-(oxolan-2-ylmethylsulfonyl)propan-2-amine
CID 81188201
2-Methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine
CID 81188308

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine?
The IUPAC name of 1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine (CID 81189150) is 1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine is COC1CCCC(S(=O)(=O)CC(C)(C)N)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine?
The InChIKey is KQTLDPMOCYVNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2,12)8-16(13,14)10-6-4-5-9(7-10)15-3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine?
1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)sulfonyl-2-methylpropan-2-amine is sourced from PubChem (CID 81189150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).