2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine

C12H24N2S — CID 82916224

IUPAC2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine
SMILESC=CCN(CC1CSCCN1)C(C)(C)C
InChIInChI=1S/C12H24N2S/c1-5-7-14(12(2,3)4)9-11-10-15-8-6-13-11/h5,11,13H,1,6-10H2,2-4H3
InChIKeyZTCQEPKNMLRZIU-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.98
Rot. Bonds4

About 2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine

2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine (PubChem CID 82916224) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine
PubChem CID82916224
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine
SMILESC=CCN(CC1CSCCN1)C(C)(C)C
InChIInChI=1S/C12H24N2S/c1-5-7-14(12(2,3)4)9-11-10-15-8-6-13-11/h5,11,13H,1,6-10H2,2-4H3
InChIKeyZTCQEPKNMLRZIU-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine (CID 82916224) is 2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine is C=CCN(CC1CSCCN1)C(C)(C)C.
What is the InChIKey of 2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine?
The InChIKey is ZTCQEPKNMLRZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-5-7-14(12(2,3)4)9-11-10-15-8-6-13-11/h5,11,13H,1,6-10H2,2-4H3.
What are the key properties of 2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine?
2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine has a molecular weight of 228.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enyl-N-(thiomorpholin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 82916224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).