(2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide

C14H30N4O2S — CID 99831954

IUPAC(2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide
SMILESCCN1CCN([C@H](C)CNS(=O)(=O)N2CCC[C@@H]2C)CC1
InChIInChI=1S/C14H30N4O2S/c1-4-16-8-10-17(11-9-16)14(3)12-15-21(19,20)18-7-5-6-13(18)2/h13-15H,4-12H2,1-3H3/t13-,14+/m0/s1
InChIKeyLKVNSWIGINNQBN-UONOGXRCSA-N
MW318.49 g/mol
LogP0.33
Rot. Bonds6

About (2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide

(2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide (PubChem CID 99831954) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide
PubChem CID99831954
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name(2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide
SMILESCCN1CCN([C@H](C)CNS(=O)(=O)N2CCC[C@@H]2C)CC1
InChIInChI=1S/C14H30N4O2S/c1-4-16-8-10-17(11-9-16)14(3)12-15-21(19,20)18-7-5-6-13(18)2/h13-15H,4-12H2,1-3H3/t13-,14+/m0/s1
InChIKeyLKVNSWIGINNQBN-UONOGXRCSA-N
XLogP0.33
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide
CID 99858308
N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 79547905
N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 62968211
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide
CID 104593982
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348
N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
CID 49459657
3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 122067923
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 99831960
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide
CID 99858304
(2S)-2-(furan-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]pyrrolidine-1-sulfonamide
CID 124865779
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
CID 99858315

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide (CID 99831954) is (2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide is CCN1CCN([C@H](C)CNS(=O)(=O)N2CCC[C@@H]2C)CC1.
What is the InChIKey of (2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide?
The InChIKey is LKVNSWIGINNQBN-UONOGXRCSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-4-16-8-10-17(11-9-16)14(3)12-15-21(19,20)18-7-5-6-13(18)2/h13-15H,4-12H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide?
(2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide has a molecular weight of 318.49 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 99831954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).