1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine

C12H25NOS — CID 79574880

IUPAC1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)CSC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-10(2)14-8-11(13)9-15-12-6-4-3-5-7-12/h10-12H,3-9,13H2,1-2H3
InChIKeyHQQPGPVRHXJSEJ-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.80
Rot. Bonds6

About 1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine

1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine (PubChem CID 79574880) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine
PubChem CID79574880
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)CSC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-10(2)14-8-11(13)9-15-12-6-4-3-5-7-12/h10-12H,3-9,13H2,1-2H3
InChIKeyHQQPGPVRHXJSEJ-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentylsulfanylpentan-2-amine
CID 64628608
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CID 65139901
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CID 65139649
1-cyclohexylsulfanylpropane-2-thiol
CID 57273341
1-cyclohexylsulfanylpropan-2-ylhydrazine
CID 105227877
1-cyclohexylsulfanylhept-5-yn-2-amine
CID 104805920
2,2-dimethoxyethylsulfanylcyclohexane
CID 66221293
1-(oxan-4-ylsulfanyl)-3-propan-2-yloxypropan-2-ol
CID 63987628
1-cyclopentylsulfanyl-3-methylhexan-2-amine
CID 107896535
1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine
CID 65138550
2-cyclohexylsulfanyl-1-cyclopropylethanol
CID 65139988
1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine
CID 65139954

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine (CID 79574880) is 1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine is CC(C)OCC(N)CSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine?
The InChIKey is HQQPGPVRHXJSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-10(2)14-8-11(13)9-15-12-6-4-3-5-7-12/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine?
1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine has a molecular weight of 231.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 79574880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).