N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine

C11H22N2S — CID 103069164

IUPACN-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCSCC1
InChIInChI=1S/C11H22N2S/c1-10(2)12-8-11(3)9-13-4-6-14-7-5-13/h10,12H,3-9H2,1-2H3
InChIKeyQIVFAZODIDKFPB-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds5

About N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine

N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine (PubChem CID 103069164) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
PubChem CID103069164
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCSCC1
InChIInChI=1S/C11H22N2S/c1-10(2)12-8-11(3)9-13-4-6-14-7-5-13/h10,12H,3-9H2,1-2H3
InChIKeyQIVFAZODIDKFPB-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
CID 60854360
1-(2-Methyl-3-methylsulfanylprop-2-enyl)piperazine
CID 123637088
N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine
CID 166770553
2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
CID 62263437
2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
CID 62419816
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
CID 63982568
1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine
CID 63982662
1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine
CID 63982728
3-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64117857
2-(2,6-dimethylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64117863
3-(2,6-dimethylthiomorpholin-4-yl)-N-propan-2-ylpropan-1-amine
CID 64119158

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine (CID 103069164) is N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine is C=C(CNC(C)C)CN1CCSCC1.
What is the InChIKey of N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
The InChIKey is QIVFAZODIDKFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-10(2)12-8-11(3)9-13-4-6-14-7-5-13/h10,12H,3-9H2,1-2H3.
What are the key properties of N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103069164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).