N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine

C10H20N2S — CID 62558854

IUPACN-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
SMILESC=CCNCC(C)N1CCSCC1
InChIInChI=1S/C10H20N2S/c1-3-4-11-9-10(2)12-5-7-13-8-6-12/h3,10-11H,1,4-9H2,2H3
InChIKeyMKUIWEQMQQIPLO-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.20
Rot. Bonds5

About N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine

N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62558854) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
PubChem CID62558854
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
SMILESC=CCNCC(C)N1CCSCC1
InChIInChI=1S/C10H20N2S/c1-3-4-11-9-10(2)12-5-7-13-8-6-12/h3,10-11H,1,4-9H2,2H3
InChIKeyMKUIWEQMQQIPLO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine (CID 62558854) is N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine is C=CCNCC(C)N1CCSCC1.
What is the InChIKey of N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is MKUIWEQMQQIPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-4-11-9-10(2)12-5-7-13-8-6-12/h3,10-11H,1,4-9H2,2H3.
What are the key properties of N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine?
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-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 N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62558854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).