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

C10H20N2S — CID 106325116

IUPAC(E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine
SMILESC/C=C/CNCCN1CCSCC1
InChIInChI=1S/C10H20N2S/c1-2-3-4-11-5-6-12-7-9-13-10-8-12/h2-3,11H,4-10H2,1H3/b3-2+
InChIKeySIFPORLTIXERMQ-NSCUHMNNSA-N
MW200.35 g/mol
LogP1.20
Rot. Bonds5

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

(E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine (PubChem CID 106325116) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is (E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine
PubChem CID106325116
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name(E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine
SMILESC/C=C/CNCCN1CCSCC1
InChIInChI=1S/C10H20N2S/c1-2-3-4-11-5-6-12-7-9-13-10-8-12/h2-3,11H,4-10H2,1H3/b3-2+
InChIKeySIFPORLTIXERMQ-NSCUHMNNSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-Methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole
CID 138756773
4-Prop-2-enylthiomorpholin-4-ium
CID 52141751
1-(Prop-2-enylsulfanylmethyl)piperazine
CID 68130499
3,4-dihydro-2-piperazinomethyl-2H-(1,3)-thiazine
CID 131712935
1-(2H-thiet-2-yl)piperazine
CID 139929127
1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine
CID 142187961
Ethene;trimethyl(2-piperazin-1-ylethyl)-lambda4-sulfane
CID 143610301
(3E)-N-(2-thiomorpholin-4-ylethyl)hexa-1,3,5-trien-3-amine
CID 143782034
N-[2-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylethyl]-N',N'-dimethylethane-1,2-diamine
CID 144977013
But-2-enyl piperazine-1-carbodithioate
CID 153529794
N'-(2,3-dihydro-1,4-dithiin-5-ylmethyl)-N-methylethane-1,2-diamine
CID 174292869
N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine
CID 62553911

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine?
The IUPAC name of (E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine (CID 106325116) is (E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine?
The canonical SMILES for (E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine is C/C=C/CNCCN1CCSCC1.
What is the InChIKey of (E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine?
The InChIKey is SIFPORLTIXERMQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-3-4-11-5-6-12-7-9-13-10-8-12/h2-3,11H,4-10H2,1H3/b3-2+.
What are the key properties of (E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine?
(E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine has a molecular weight of 200.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine is sourced from PubChem (CID 106325116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).