N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride

C11H26ClN3O2S — CID 120664457

IUPACN-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)N1CCCC(C)C1.Cl
InChIInChI=1S/C11H25N3O2S.ClH/c1-4-12-11(3)8-13-17(15,16)14-7-5-6-10(2)9-14;/h10-13H,4-9H2,1-3H3;1H/t10?,11-;/m1./s1
InChIKeyMVVCQDRRKACWRS-PSDUUTOMSA-N
MW299.87 g/mol
LogP0.97
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride (PubChem CID 120664457) has the molecular formula C11H26ClN3O2S and a molecular weight of 299.87 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
PubChem CID120664457
Molecular FormulaC11H26ClN3O2S
Molecular Weight299.87 g/mol
Exact Mass299.14
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)N1CCCC(C)C1.Cl
InChIInChI=1S/C11H25N3O2S.ClH/c1-4-12-11(3)8-13-17(15,16)14-7-5-6-10(2)9-14;/h10-13H,4-9H2,1-3H3;1H/t10?,11-;/m1./s1
InChIKeyMVVCQDRRKACWRS-PSDUUTOMSA-N
XLogP0.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
CID 43606393
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 62665582
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
CID 103836469
3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066565
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride (CID 120664457) is N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)N1CCCC(C)C1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride?
The InChIKey is MVVCQDRRKACWRS-PSDUUTOMSA-N. The full InChI is InChI=1S/C11H25N3O2S.ClH/c1-4-12-11(3)8-13-17(15,16)14-7-5-6-10(2)9-14;/h10-13H,4-9H2,1-3H3;1H/t10?,11-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride has a molecular weight of 299.87 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120664457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).