methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate

C9H18N2O4S — CID 47351547

IUPACmethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
SMILESCCS(=O)(=O)NC1CCN(C(=O)OC)CC1
InChIInChI=1S/C9H18N2O4S/c1-3-16(13,14)10-8-4-6-11(7-5-8)9(12)15-2/h8,10H,3-7H2,1-2H3
InChIKeyJDJJCRZVFJSZMH-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.16
Rot. Bonds3

About methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate

methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate (PubChem CID 47351547) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
PubChem CID47351547
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
SMILESCCS(=O)(=O)NC1CCN(C(=O)OC)CC1
InChIInChI=1S/C9H18N2O4S/c1-3-16(13,14)10-8-4-6-11(7-5-8)9(12)15-2/h8,10H,3-7H2,1-2H3
InChIKeyJDJJCRZVFJSZMH-UHFFFAOYSA-N
XLogP0.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 79345168
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833
methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
CID 91643444
methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
CID 99811858
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide
CID 60949730
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
4-[4-(ethylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992611
N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 86841914
N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
CID 62474673

Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate (CID 47351547) is methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate is CCS(=O)(=O)NC1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate?
The InChIKey is JDJJCRZVFJSZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-16(13,14)10-8-4-6-11(7-5-8)9(12)15-2/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate?
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate has a molecular weight of 250.32 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 47351547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).