N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine

C9H20N2S — CID 166770553

IUPACN-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CN(C)CCS1
InChIInChI=1S/C9H20N2S/c1-8(2)10-6-9-7-11(3)4-5-12-9/h8-10H,4-7H2,1-3H3
InChIKeyMGJYWEVGWPPARD-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.03
Rot. Bonds3

About N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine

N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine (PubChem CID 166770553) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine
PubChem CID166770553
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CN(C)CCS1
InChIInChI=1S/C9H20N2S/c1-8(2)10-6-9-7-11(3)4-5-12-9/h8-10H,4-7H2,1-3H3
InChIKeyMGJYWEVGWPPARD-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine (CID 166770553) is N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine is CC(C)NCC1CN(C)CCS1.
What is the InChIKey of N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine?
The InChIKey is MGJYWEVGWPPARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-8(2)10-6-9-7-11(3)4-5-12-9/h8-10H,4-7H2,1-3H3.
What are the key properties of N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine?
N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine has a molecular weight of 188.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiomorpholin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 166770553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).