N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine

C10H22N2O2S — CID 158150514

IUPACN,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine
SMILESCN(C)CCS(=O)(=O)C[C@H]1CCCNC1
InChIInChI=1S/C10H22N2O2S/c1-12(2)6-7-15(13,14)9-10-4-3-5-11-8-10/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyFVAWXMZDDUFGRN-JTQLQIEISA-N
MW234.36 g/mol
LogP-0.04
Rot. Bonds5

About N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine

N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine (PubChem CID 158150514) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine
PubChem CID158150514
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine
SMILESCN(C)CCS(=O)(=O)C[C@H]1CCCNC1
InChIInChI=1S/C10H22N2O2S/c1-12(2)6-7-15(13,14)9-10-4-3-5-11-8-10/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyFVAWXMZDDUFGRN-JTQLQIEISA-N
XLogP-0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine (CID 158150514) is N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine is CN(C)CCS(=O)(=O)C[C@H]1CCCNC1.
What is the InChIKey of N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine?
The InChIKey is FVAWXMZDDUFGRN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-12(2)6-7-15(13,14)9-10-4-3-5-11-8-10/h10-11H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine?
N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine has a molecular weight of 234.36 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methylsulfonyl]ethanamine is sourced from PubChem (CID 158150514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).