4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine

C12H26N2OS — CID 103087400

IUPAC4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
SMILESCSCCCCNC(C)CN1CCOCC1
InChIInChI=1S/C12H26N2OS/c1-12(13-5-3-4-10-16-2)11-14-6-8-15-9-7-14/h12-13H,3-11H2,1-2H3
InChIKeyLLKLDBNIWGKSIO-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.44
Rot. Bonds8

About 4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine

4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine (PubChem CID 103087400) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
PubChem CID103087400
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
SMILESCSCCCCNC(C)CN1CCOCC1
InChIInChI=1S/C12H26N2OS/c1-12(13-5-3-4-10-16-2)11-14-6-8-15-9-7-14/h12-13H,3-11H2,1-2H3
InChIKeyLLKLDBNIWGKSIO-UHFFFAOYSA-N
XLogP1.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675929
N-(3-fluoropropyl)-1-morpholin-4-ylpropan-2-amine
CID 81105734
N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
CID 43434982
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105
N-(2-fluoroethyl)-1-morpholin-4-ylpropan-2-amine
CID 80694695
1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine
CID 62988157
(2R)-N-(3-cyclopentyloxypropyl)-1-morpholin-4-ylpropan-2-amine
CID 125435142
1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine
CID 79222698
N-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]acetamide
CID 107529281
(2R)-1-(1-morpholin-4-ylpropan-2-ylamino)propan-2-ol
CID 106931969
2-methyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675679
4-(3-methylsulfanylpropyl)morpholine
CID 2247110

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine?
The IUPAC name of 4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine (CID 103087400) is 4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine.
What is the SMILES notation for 4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine?
The canonical SMILES for 4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine is CSCCCCNC(C)CN1CCOCC1.
What is the InChIKey of 4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine?
The InChIKey is LLKLDBNIWGKSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-12(13-5-3-4-10-16-2)11-14-6-8-15-9-7-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine?
4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine has a molecular weight of 246.42 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 103087400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).