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

C11H23NOS — CID 66221860

IUPAC1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine
SMILESCOC1CCCC(SCC(C)(C)N)C1
InChIInChI=1S/C11H23NOS/c1-11(2,12)8-14-10-6-4-5-9(7-10)13-3/h9-10H,4-8,12H2,1-3H3
InChIKeyQQCLQOGEFCHSJX-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.41
Rot. Bonds4

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

1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine (PubChem CID 66221860) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine
PubChem CID66221860
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine
SMILESCOC1CCCC(SCC(C)(C)N)C1
InChIInChI=1S/C11H23NOS/c1-11(2,12)8-14-10-6-4-5-9(7-10)13-3/h9-10H,4-8,12H2,1-3H3
InChIKeyQQCLQOGEFCHSJX-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine?
The IUPAC name of 1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine (CID 66221860) is 1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine is COC1CCCC(SCC(C)(C)N)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine?
The InChIKey is QQCLQOGEFCHSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-11(2,12)8-14-10-6-4-5-9(7-10)13-3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine?
1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine has a molecular weight of 217.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)sulfanyl-2-methylpropan-2-amine is sourced from PubChem (CID 66221860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).