tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate

C16H30N2O4S — CID 154764571

IUPACtert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate
SMILESCCC1(CNS(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O4S/c1-5-16(8-9-16)12-17-23(20,21)18-10-6-13(7-11-18)14(19)22-15(2,3)4/h13,17H,5-12H2,1-4H3
InChIKeyURGQHYFZOPTGSS-UHFFFAOYSA-N
MW346.49 g/mol
LogP2.06
Rot. Bonds6

About tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate

tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate (PubChem CID 154764571) has the molecular formula C16H30N2O4S and a molecular weight of 346.49 g/mol. Its IUPAC name is tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate
PubChem CID154764571
Molecular FormulaC16H30N2O4S
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC Nametert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate
SMILESCCC1(CNS(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O4S/c1-5-16(8-9-16)12-17-23(20,21)18-10-6-13(7-11-18)14(19)22-15(2,3)4/h13,17H,5-12H2,1-4H3
InChIKeyURGQHYFZOPTGSS-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352876
ethyl 1-[(1-hydroxycyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 115753944
methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352831
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 115455401
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
CID 103735451
tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
CID 103734836
tert-butyl 1-(acetylsulfanylmethyl)piperidine-4-carboxylate
CID 150933805
bis[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]piperazin-1-yl] propanedioate
CID 67597388
tert-butyl 1-[4-(2-methoxy-2-oxoacetyl)piperazin-1-yl]piperidine-4-carboxylate
CID 140984746
ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
CID 63731077

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate (CID 154764571) is tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate is CCC1(CNS(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate?
The InChIKey is URGQHYFZOPTGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4S/c1-5-16(8-9-16)12-17-23(20,21)18-10-6-13(7-11-18)14(19)22-15(2,3)4/h13,17H,5-12H2,1-4H3.
What are the key properties of tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate?
tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate has a molecular weight of 346.49 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 154764571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).