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

C11H22N2S — CID 103069168

IUPACN-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCSCC1
InChIInChI=1S/C11H22N2S/c1-3-4-12-9-11(2)10-13-5-7-14-8-6-13/h12H,2-10H2,1H3
InChIKeyGAQHCQHVAHNDJX-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds6

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

N-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine (PubChem CID 103069168) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
PubChem CID103069168
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCSCC1
InChIInChI=1S/C11H22N2S/c1-3-4-12-9-11(2)10-13-5-7-14-8-6-13/h12H,2-10H2,1H3
InChIKeyGAQHCQHVAHNDJX-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': '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-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine (CID 103069168) is N-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine is C=C(CNCCC)CN1CCSCC1.
What is the InChIKey of N-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
The InChIKey is GAQHCQHVAHNDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-4-12-9-11(2)10-13-5-7-14-8-6-13/h12H,2-10H2,1H3.
What are the key properties of N-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine?
N-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103069168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).