N-ethylethanamine;methanesulfonamide;3-methylpiperidine

C11H29N3O2S — CID 70200253

IUPACN-ethylethanamine;methanesulfonamide;3-methylpiperidine
SMILESCC1CCCNC1.CCNCC.CS(N)(=O)=O
InChIInChI=1S/C6H13N.C4H11N.CH5NO2S/c1-6-3-2-4-7-5-6;1-3-5-4-2;1-5(2,3)4/h6-7H,2-5H2,1H3;5H,3-4H2,1-2H3;1H3,(H2,2,3,4)
InChIKeyJRIMAHIGKYNWQP-UHFFFAOYSA-N
MW267.44 g/mol
LogP0.53
Rot. Bonds2

About N-ethylethanamine;methanesulfonamide;3-methylpiperidine

N-ethylethanamine;methanesulfonamide;3-methylpiperidine (PubChem CID 70200253) has the molecular formula C11H29N3O2S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethylethanamine;methanesulfonamide;3-methylpiperidine.

Molecular Properties

Compound NameN-ethylethanamine;methanesulfonamide;3-methylpiperidine
PubChem CID70200253
Molecular FormulaC11H29N3O2S
Molecular Weight267.44 g/mol
Exact Mass267.20
IUPAC NameN-ethylethanamine;methanesulfonamide;3-methylpiperidine
SMILESCC1CCCNC1.CCNCC.CS(N)(=O)=O
InChIInChI=1S/C6H13N.C4H11N.CH5NO2S/c1-6-3-2-4-7-5-6;1-3-5-4-2;1-5(2,3)4/h6-7H,2-5H2,1H3;5H,3-4H2,1-2H3;1H3,(H2,2,3,4)
InChIKeyJRIMAHIGKYNWQP-UHFFFAOYSA-N
XLogP0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methanamine;3-methylpiperidine
CID 178081150
ethane;(3S)-3-methylpiperidine
CID 144634573
3,3-diphenylpropan-1-amine;N-ethylethanamine;methanesulfonamide;3-methylpiperidine;4-piperidin-1-ylpiperidin-1-amine
CID 70201610
ethane;3-methylpiperidine;hydrate
CID 142361877
3-methylazepane
CID 14291801
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
formamide;3-methylpyrrolidine
CID 143474557
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
(3S)-3-methylpiperidine;oxan-4-amine
CID 142432320
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
2-cyanoguanidine;3-methylpiperidine
CID 130442393
N-ethyl-N-piperidin-3-ylmethanesulfonamide
CID 60806038

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;methanesulfonamide;3-methylpiperidine?
The IUPAC name of N-ethylethanamine;methanesulfonamide;3-methylpiperidine (CID 70200253) is N-ethylethanamine;methanesulfonamide;3-methylpiperidine.
What is the SMILES notation for N-ethylethanamine;methanesulfonamide;3-methylpiperidine?
The canonical SMILES for N-ethylethanamine;methanesulfonamide;3-methylpiperidine is CC1CCCNC1.CCNCC.CS(N)(=O)=O.
What is the InChIKey of N-ethylethanamine;methanesulfonamide;3-methylpiperidine?
The InChIKey is JRIMAHIGKYNWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H11N.CH5NO2S/c1-6-3-2-4-7-5-6;1-3-5-4-2;1-5(2,3)4/h6-7H,2-5H2,1H3;5H,3-4H2,1-2H3;1H3,(H2,2,3,4).
What are the key properties of N-ethylethanamine;methanesulfonamide;3-methylpiperidine?
N-ethylethanamine;methanesulfonamide;3-methylpiperidine has a molecular weight of 267.44 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;methanesulfonamide;3-methylpiperidine is sourced from PubChem (CID 70200253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).