2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate

C10H20N2O5S — CID 79345168

IUPAC2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
SMILESCCS(=O)(=O)NC1CCN(C(=O)OCCO)CC1
InChIInChI=1S/C10H20N2O5S/c1-2-18(15,16)11-9-3-5-12(6-4-9)10(14)17-8-7-13/h9,11,13H,2-8H2,1H3
InChIKeyNUAGFANTDMTEHT-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.48
Rot. Bonds5

About 2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate

2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate (PubChem CID 79345168) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
PubChem CID79345168
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
SMILESCCS(=O)(=O)NC1CCN(C(=O)OCCO)CC1
InChIInChI=1S/C10H20N2O5S/c1-2-18(15,16)11-9-3-5-12(6-4-9)10(14)17-8-7-13/h9,11,13H,2-8H2,1H3
InChIKeyNUAGFANTDMTEHT-UHFFFAOYSA-N
XLogP-0.48
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide
CID 60949730
2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate
CID 79346721
2-hydroxyethyl 4-(diethylamino)piperidine-1-carboxylate
CID 79346546
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833
N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
CID 62474673
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
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
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate (CID 79345168) is 2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate is CCS(=O)(=O)NC1CCN(C(=O)OCCO)CC1.
What is the InChIKey of 2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate?
The InChIKey is NUAGFANTDMTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-2-18(15,16)11-9-3-5-12(6-4-9)10(14)17-8-7-13/h9,11,13H,2-8H2,1H3.
What are the key properties of 2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate?
2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate has a molecular weight of 280.35 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 79345168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).