1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine

C14H23N3S — CID 114199123

IUPAC1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccnc1CN1CCSC(C)(C)C1
InChIInChI=1S/C14H23N3S/c1-14(2)11-17(7-8-18-14)10-13-12(9-15-3)5-4-6-16-13/h4-6,15H,7-11H2,1-3H3
InChIKeyCDHFPPPHHJJANL-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine

1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine (PubChem CID 114199123) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine
PubChem CID114199123
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccnc1CN1CCSC(C)(C)C1
InChIInChI=1S/C14H23N3S/c1-14(2)11-17(7-8-18-14)10-13-12(9-15-3)5-4-6-16-13/h4-6,15H,7-11H2,1-3H3
InChIKeyCDHFPPPHHJJANL-UHFFFAOYSA-N
XLogP2.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine (CID 114199123) is 1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine is CNCc1cccnc1CN1CCSC(C)(C)C1.
What is the InChIKey of 1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine?
The InChIKey is CDHFPPPHHJJANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-14(2)11-17(7-8-18-14)10-13-12(9-15-3)5-4-6-16-13/h4-6,15H,7-11H2,1-3H3.
What are the key properties of 1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine?
1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine has a molecular weight of 265.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,2-dimethylthiomorpholin-4-yl)methyl]-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114199123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).