N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine

C10H20N2S — CID 106325115

IUPACN-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine
SMILESC=CCCNCCN1CCSCC1
InChIInChI=1S/C10H20N2S/c1-2-3-4-11-5-6-12-7-9-13-10-8-12/h2,11H,1,3-10H2
InChIKeyCOUSIASFBAPSGW-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.20
Rot. Bonds6

About N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine

N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine (PubChem CID 106325115) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine
PubChem CID106325115
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine
SMILESC=CCCNCCN1CCSCC1
InChIInChI=1S/C10H20N2S/c1-2-3-4-11-5-6-12-7-9-13-10-8-12/h2,11H,1,3-10H2
InChIKeyCOUSIASFBAPSGW-UHFFFAOYSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Azane;2-prop-2-enylthiomorpholine
CID 66900119
1-(Prop-2-enylsulfanylmethyl)piperazine
CID 68130499
1-(2,3-Dihydrothiophen-2-yl)piperazine
CID 68956121
2-(2-Prop-2-enylthiomorpholin-4-yl)ethanamine
CID 70523395
3,4-dihydro-2-piperazinomethyl-2H-(1,3)-thiazine
CID 131712935
1-[3-(2,3-Dihydrothiophen-2-yl)propyl]piperazine
CID 163907024
1-[3-(2,3-Dihydrothiophen-5-yl)propyl]piperazine
CID 164033012
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 62574529
2-(3-methylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64052023
2-(2,6-dimethylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64117863
N-[2-(2,6-dimethylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64120053

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine (CID 106325115) is N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine is C=CCCNCCN1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine?
The InChIKey is COUSIASFBAPSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-3-4-11-5-6-12-7-9-13-10-8-12/h2,11H,1,3-10H2.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine?
N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine has a molecular weight of 200.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine is sourced from PubChem (CID 106325115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).