N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine

C10H21NO2S2 — CID 106727327

IUPACN-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine
SMILESCNC1CSCC1CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO2S2/c1-8(2)15(12,13)5-4-9-6-14-7-10(9)11-3/h8-11H,4-7H2,1-3H3
InChIKeyQXZCVHXLRCNYRT-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.15
Rot. Bonds5

About N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine

N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine (PubChem CID 106727327) has the molecular formula C10H21NO2S2 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine
PubChem CID106727327
Molecular FormulaC10H21NO2S2
Molecular Weight251.42 g/mol
Exact Mass251.10
IUPAC NameN-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine
SMILESCNC1CSCC1CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO2S2/c1-8(2)15(12,13)5-4-9-6-14-7-10(9)11-3/h8-11H,4-7H2,1-3H3
InChIKeyQXZCVHXLRCNYRT-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine?
The IUPAC name of N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine (CID 106727327) is N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine.
What is the SMILES notation for N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine?
The canonical SMILES for N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine is CNC1CSCC1CCS(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine?
The InChIKey is QXZCVHXLRCNYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S2/c1-8(2)15(12,13)5-4-9-6-14-7-10(9)11-3/h8-11H,4-7H2,1-3H3.
What are the key properties of N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine?
N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine has a molecular weight of 251.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine is sourced from PubChem (CID 106727327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).