(2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine

C13H27NOS — CID 125443596

IUPAC(2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine
SMILESCSC[C@H](C)NCCCOC1CCCCC1
InChIInChI=1S/C13H27NOS/c1-12(11-16-2)14-9-6-10-15-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyIMPRXAVFBBOGLI-LBPRGKRZSA-N
MW245.43 g/mol
LogP3.07
Rot. Bonds8

About (2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine

(2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine (PubChem CID 125443596) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is (2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine
PubChem CID125443596
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name(2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine
SMILESCSC[C@H](C)NCCCOC1CCCCC1
InChIInChI=1S/C13H27NOS/c1-12(11-16-2)14-9-6-10-15-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyIMPRXAVFBBOGLI-LBPRGKRZSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-1-cyclopropylpropan-2-amine
CID 115707843
N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine
CID 43104261
N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79540247
3-cyclohexyloxy-N-(dicyclopropylmethyl)propan-1-amine
CID 43362870
3-[1-(methylsulfanylmethyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
CID 170251103
(2R)-N-(3-cyclopentyloxypropyl)-1-morpholin-4-ylpropan-2-amine
CID 125435142
3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659
N-(2-cyclopentyloxyethyl)-1-methoxypropan-2-amine
CID 62567439
3-cyclopentyloxy-N-methylpropan-1-amine
CID 62444438
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
N-(3-cyclohexyloxypropyl)propane-2-sulfonamide
CID 61363412
N-(2-cyclopentyloxyethyl)octan-2-amine
CID 55259713

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine?
The IUPAC name of (2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine (CID 125443596) is (2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for (2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine?
The canonical SMILES for (2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine is CSC[C@H](C)NCCCOC1CCCCC1.
What is the InChIKey of (2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine?
The InChIKey is IMPRXAVFBBOGLI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27NOS/c1-12(11-16-2)14-9-6-10-15-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine?
(2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine has a molecular weight of 245.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 125443596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).