N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C9H16N2O2S2 — CID 75369458

IUPACN-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCN(CCCS(C)(=O)=O)Cc1cscn1
InChIInChI=1S/C9H16N2O2S2/c1-11(4-3-5-15(2,12)13)6-9-7-14-8-10-9/h7-8H,3-6H2,1-2H3
InChIKeyUSVMRKGPXWUACV-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.01
Rot. Bonds6

About N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 75369458) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID75369458
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCN(CCCS(C)(=O)=O)Cc1cscn1
InChIInChI=1S/C9H16N2O2S2/c1-11(4-3-5-15(2,12)13)6-9-7-14-8-10-9/h7-8H,3-6H2,1-2H3
InChIKeyUSVMRKGPXWUACV-UHFFFAOYSA-N
XLogP1.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 75369458) is N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is CN(CCCS(C)(=O)=O)Cc1cscn1.
What is the InChIKey of N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is USVMRKGPXWUACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-11(4-3-5-15(2,12)13)6-9-7-14-8-10-9/h7-8H,3-6H2,1-2H3.
What are the key properties of N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 75369458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).