N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine

C14H28N2O2S2 — CID 81005411

IUPACN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1C1CCC1CNC(C)C
InChIInChI=1S/C14H28N2O2S2/c1-4-20(17,18)14-10-19-8-7-16(14)13-6-5-12(13)9-15-11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyWQTHGXWTWPOBAP-UHFFFAOYSA-N
MW320.52 g/mol
LogP1.57
Rot. Bonds6

About N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine

N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81005411) has the molecular formula C14H28N2O2S2 and a molecular weight of 320.52 g/mol. Its IUPAC name is N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID81005411
Molecular FormulaC14H28N2O2S2
Molecular Weight320.52 g/mol
Exact Mass320.16
IUPAC NameN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1C1CCC1CNC(C)C
InChIInChI=1S/C14H28N2O2S2/c1-4-20(17,18)14-10-19-8-7-16(14)13-6-5-12(13)9-15-11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyWQTHGXWTWPOBAP-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-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-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine
CID 81005062
2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
CID 81004535
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine
CID 81004886
2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
CID 66375579
[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine
CID 81004713
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
CID 66378310
1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one
CID 66378127
1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66383135
3-ethylsulfonyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine
CID 82760827
1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
3-ethylsulfonyl-N-propan-2-ylthiomorpholine-4-carbothioamide
CID 116509287
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
CID 102886942

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine (CID 81005411) is N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine is CCS(=O)(=O)C1CSCCN1C1CCC1CNC(C)C.
What is the InChIKey of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is WQTHGXWTWPOBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S2/c1-4-20(17,18)14-10-19-8-7-16(14)13-6-5-12(13)9-15-11(2)3/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 320.52 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81005411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).