N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide

C10H21N3O2S — CID 143816836

IUPACN-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCNS(C)=O)CC1
InChIInChI=1S/C10H21N3O2S/c1-9-3-7-13(8-4-9)10(14)11-5-6-12-16(2)15/h9,12H,3-8H2,1-2H3,(H,11,14)
InChIKeyZDUPNQMQQHWYSJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.31
Rot. Bonds4

About N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide

N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide (PubChem CID 143816836) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide
PubChem CID143816836
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC NameN-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCNS(C)=O)CC1
InChIInChI=1S/C10H21N3O2S/c1-9-3-7-13(8-4-9)10(14)11-5-6-12-16(2)15/h9,12H,3-8H2,1-2H3,(H,11,14)
InChIKeyZDUPNQMQQHWYSJ-UHFFFAOYSA-N
XLogP0.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
CID 79163549
4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 115640943
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
N-(3-hydroxybutyl)-4-methylpiperidine-1-carboxamide
CID 79160258
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
CID 129348452
N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 115583128
4-methyl-N-(2-propan-2-yloxyethyl)piperidine-1-carboxamide
CID 104578083
N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
CID 79160318

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide (CID 143816836) is N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCCNS(C)=O)CC1.
What is the InChIKey of N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is ZDUPNQMQQHWYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-9-3-7-13(8-4-9)10(14)11-5-6-12-16(2)15/h9,12H,3-8H2,1-2H3,(H,11,14).
What are the key properties of N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide?
N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 247.36 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 143816836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).