(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide

C13H27N3O3S — CID 120624764

IUPAC(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
SMILESCCN(CCCNC(=O)[C@H]1CCN[C@@H](C)C1)S(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-4-16(20(3,18)19)9-5-7-15-13(17)12-6-8-14-11(2)10-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyQEEBKBKLZUFQIP-RYUDHWBXSA-N
MW305.44 g/mol
LogP0.16
Rot. Bonds7

About (2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120624764) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is (2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
PubChem CID120624764
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
SMILESCCN(CCCNC(=O)[C@H]1CCN[C@@H](C)C1)S(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-4-16(20(3,18)19)9-5-7-15-13(17)12-6-8-14-11(2)10-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyQEEBKBKLZUFQIP-RYUDHWBXSA-N
XLogP0.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide
CID 79388221
(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636684
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635209
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120622256
N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide
CID 82908390
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
CID 106832156
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119299945
(2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618698
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide (CID 120624764) is (2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide is CCN(CCCNC(=O)[C@H]1CCN[C@@H](C)C1)S(C)(=O)=O.
What is the InChIKey of (2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is QEEBKBKLZUFQIP-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-4-16(20(3,18)19)9-5-7-15-13(17)12-6-8-14-11(2)10-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120624764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).