3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine

C12H26N2O2S2 — CID 66382063

IUPAC3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H26N2O2S2/c1-10(2)13-6-5-11(3)14-7-8-17-9-12(14)18(4,15)16/h10-13H,5-9H2,1-4H3
InChIKeyUINDXWCTUVYRQJ-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.18
Rot. Bonds6

About 3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine

3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 66382063) has the molecular formula C12H26N2O2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is 3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine
PubChem CID66382063
Molecular FormulaC12H26N2O2S2
Molecular Weight294.49 g/mol
Exact Mass294.14
IUPAC Name3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H26N2O2S2/c1-10(2)13-6-5-11(3)14-7-8-17-9-12(14)18(4,15)16/h10-13H,5-9H2,1-4H3
InChIKeyUINDXWCTUVYRQJ-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381861
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66384755
N-[4-(3-methylsulfonylthiomorpholin-4-yl)pentyl]cyclopropanamine
CID 66384759
4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide
CID 66381881
4-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-N-propan-2-ylbutan-1-amine
CID 66383682
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 66376758
4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66382570
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)butanoate
CID 79414967
3,3-dimethyl-4-(3-methylsulfonylthiomorpholin-4-yl)-N-propylbutan-2-amine
CID 66454113
4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
CID 66382459
N-[[4-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 66382807
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
CID 66378310

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine (CID 66382063) is 3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of 3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is UINDXWCTUVYRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S2/c1-10(2)13-6-5-11(3)14-7-8-17-9-12(14)18(4,15)16/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine?
3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 294.49 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 66382063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).