(3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide

C9H19N3O3S — CID 129414224

IUPAC(3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide
SMILESCN(C)CC(=O)N1CCC[C@H](S(N)(=O)=O)C1
InChIInChI=1S/C9H19N3O3S/c1-11(2)7-9(13)12-5-3-4-8(6-12)16(10,14)15/h8H,3-7H2,1-2H3,(H2,10,14,15)/t8-/m0/s1
InChIKeyIONMJPZTGOCVPF-QMMMGPOBSA-N
MW249.34 g/mol
LogP-1.17
Rot. Bonds3

About (3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide

(3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide (PubChem CID 129414224) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is (3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide
PubChem CID129414224
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name(3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide
SMILESCN(C)CC(=O)N1CCC[C@H](S(N)(=O)=O)C1
InChIInChI=1S/C9H19N3O3S/c1-11(2)7-9(13)12-5-3-4-8(6-12)16(10,14)15/h8H,3-7H2,1-2H3,(H2,10,14,15)/t8-/m0/s1
InChIKeyIONMJPZTGOCVPF-QMMMGPOBSA-N
XLogP-1.17
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-sulfamoylpiperidine-1-carboxamide
CID 79162189
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
N,N-dimethyl-3-sulfamoylpyrrolidine-1-carboxamide
CID 136525151
1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide
CID 103522077
tert-butyl 3-sulfamoylpiperidine-1-carboxylate
CID 122702227
1-[2-(oxolan-2-yl)acetyl]piperidine-3-sulfonamide
CID 64867820
1-(2-methoxy-2-methylpropanoyl)piperidine-3-sulfonamide
CID 103710680
1-(2-methoxypropanoyl)piperidine-3-sulfonamide
CID 115643260
4-sulfamoylazepane-1-carboxylic acid
CID 155100519
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
1-(2-phenylsulfanylacetyl)piperidine-3-sulfonamide
CID 79001409
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119592997

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide?
The IUPAC name of (3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide (CID 129414224) is (3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide is CN(C)CC(=O)N1CCC[C@H](S(N)(=O)=O)C1.
What is the InChIKey of (3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide?
The InChIKey is IONMJPZTGOCVPF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-11(2)7-9(13)12-5-3-4-8(6-12)16(10,14)15/h8H,3-7H2,1-2H3,(H2,10,14,15)/t8-/m0/s1.
What are the key properties of (3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide?
(3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide has a molecular weight of 249.34 g/mol, XLogP of -1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide is sourced from PubChem (CID 129414224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).