(5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine

C7H14N2O2S — CID 59574704

IUPAC(5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine
SMILESCS(=O)(=O)C1=CNCCC1CN
InChIInChI=1S/C7H14N2O2S/c1-12(10,11)7-5-9-3-2-6(7)4-8/h5-6,9H,2-4,8H2,1H3
InChIKeyNXTLPGAYIAQGQN-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.56
Rot. Bonds2

About (5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine

(5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine (PubChem CID 59574704) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine.

Molecular Properties

Compound Name(5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine
PubChem CID59574704
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name(5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine
SMILESCS(=O)(=O)C1=CNCCC1CN
InChIInChI=1S/C7H14N2O2S/c1-12(10,11)7-5-9-3-2-6(7)4-8/h5-6,9H,2-4,8H2,1H3
InChIKeyNXTLPGAYIAQGQN-UHFFFAOYSA-N
XLogP-0.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine?
The IUPAC name of (5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine (CID 59574704) is (5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine.
What is the SMILES notation for (5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine?
The canonical SMILES for (5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine is CS(=O)(=O)C1=CNCCC1CN.
What is the InChIKey of (5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine?
The InChIKey is NXTLPGAYIAQGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-12(10,11)7-5-9-3-2-6(7)4-8/h5-6,9H,2-4,8H2,1H3.
What are the key properties of (5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine?
(5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine has a molecular weight of 190.27 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonyl-1,2,3,4-tetrahydropyridin-4-yl)methanamine is sourced from PubChem (CID 59574704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).