(3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide

C9H21N3O2S — CID 28785503

IUPAC(3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H](N)C1
InChIInChI=1S/C9H21N3O2S/c1-3-11(4-2)15(13,14)12-7-5-6-9(10)8-12/h9H,3-8,10H2,1-2H3/t9-/m0/s1
InChIKeyMBXYIXVTNTWPJE-VIFPVBQESA-N
MW235.35 g/mol
LogP-0.00
Rot. Bonds4

About (3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide

(3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide (PubChem CID 28785503) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is (3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide
PubChem CID28785503
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name(3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H](N)C1
InChIInChI=1S/C9H21N3O2S/c1-3-11(4-2)15(13,14)12-7-5-6-9(10)8-12/h9H,3-8,10H2,1-2H3/t9-/m0/s1
InChIKeyMBXYIXVTNTWPJE-VIFPVBQESA-N
XLogP-0.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide?
The IUPAC name of (3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide (CID 28785503) is (3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC[C@H](N)C1.
What is the InChIKey of (3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide?
The InChIKey is MBXYIXVTNTWPJE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-3-11(4-2)15(13,14)12-7-5-6-9(10)8-12/h9H,3-8,10H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide?
(3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide is sourced from PubChem (CID 28785503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).