N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine

C14H21N3O2S2 — CID 105074134

IUPACN-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCS(=O)(=O)C1CSCCN1c1cnccc1CNC1CC1
InChIInChI=1S/C14H21N3O2S2/c1-21(18,19)14-10-20-7-6-17(14)13-9-15-5-4-11(13)8-16-12-2-3-12/h4-5,9,12,14,16H,2-3,6-8,10H2,1H3
InChIKeyABROIXXYIYMICV-UHFFFAOYSA-N
MW327.48 g/mol
LogP1.26
Rot. Bonds5

About N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105074134) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105074134
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC NameN-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCS(=O)(=O)C1CSCCN1c1cnccc1CNC1CC1
InChIInChI=1S/C14H21N3O2S2/c1-21(18,19)14-10-20-7-6-17(14)13-9-15-5-4-11(13)8-16-12-2-3-12/h4-5,9,12,14,16H,2-3,6-8,10H2,1H3
InChIKeyABROIXXYIYMICV-UHFFFAOYSA-N
XLogP1.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 105074134) is N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine is CS(=O)(=O)C1CSCCN1c1cnccc1CNC1CC1.
What is the InChIKey of N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ABROIXXYIYMICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-21(18,19)14-10-20-7-6-17(14)13-9-15-5-4-11(13)8-16-12-2-3-12/h4-5,9,12,14,16H,2-3,6-8,10H2,1H3.
What are the key properties of N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 327.48 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105074134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).