2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine

C10H22N2S — CID 62417122

IUPAC2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine
SMILESCC(C)CNCCN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-10(2)9-11-3-4-12-5-7-13-8-6-12/h10-11H,3-9H2,1-2H3
InChIKeyRUDVLILKFMLOQQ-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.28
Rot. Bonds5

About 2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine

2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine (PubChem CID 62417122) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine
PubChem CID62417122
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine
SMILESCC(C)CNCCN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-10(2)9-11-3-4-12-5-7-13-8-6-12/h10-11H,3-9H2,1-2H3
InChIKeyRUDVLILKFMLOQQ-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine (CID 62417122) is 2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine is CC(C)CNCCN1CCSCC1.
What is the InChIKey of 2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine?
The InChIKey is RUDVLILKFMLOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-10(2)9-11-3-4-12-5-7-13-8-6-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine?
2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 62417122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).