tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate

C18H35N3O4S — CID 58780616

IUPACtert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CNS(C)(=O)=O)C2CCCCC2)CC1
InChIInChI=1S/C18H35N3O4S/c1-18(2,3)25-17(22)21-12-10-20(11-13-21)16(14-19-26(4,23)24)15-8-6-5-7-9-15/h15-16,19H,5-14H2,1-4H3
InChIKeyHJJCQTRVTKNCKF-UHFFFAOYSA-N
MW389.56 g/mol
LogP2.04
Rot. Bonds5

About tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate

tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate (PubChem CID 58780616) has the molecular formula C18H35N3O4S and a molecular weight of 389.56 g/mol. Its IUPAC name is tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate
PubChem CID58780616
Molecular FormulaC18H35N3O4S
Molecular Weight389.56 g/mol
Exact Mass389.23
IUPAC Nametert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CNS(C)(=O)=O)C2CCCCC2)CC1
InChIInChI=1S/C18H35N3O4S/c1-18(2,3)25-17(22)21-12-10-20(11-13-21)16(14-19-26(4,23)24)15-8-6-5-7-9-15/h15-16,19H,5-14H2,1-4H3
InChIKeyHJJCQTRVTKNCKF-UHFFFAOYSA-N
XLogP2.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.56
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate
CID 58780655
2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 58786485
tert-butyl 4-(1-cycloheptyl-2-oxoethyl)piperazine-1-carboxylate
CID 58786584
tert-butyl 4-(2-amino-1-pyrrolidin-1-ylethyl)piperidine-1-carboxylate
CID 84815847
tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 142582802
tert-butyl 4-[(2E)-1-cyclohexyl-2-hydroxyiminoethyl]piperazine-1-carboxylate
CID 58786427
tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate
CID 145446627
tert-butyl 4-[(2-cyclopentyl-2-hydroxyethyl)amino]piperidine-1-carboxylate
CID 111755633
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 69113828
tert-butyl 3-[(S)-cyclohexyl(hydroxy)methyl]pyrrolidine-1-carboxylate
CID 66892173
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate (CID 58780616) is tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(CNS(C)(=O)=O)C2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate?
The InChIKey is HJJCQTRVTKNCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O4S/c1-18(2,3)25-17(22)21-12-10-20(11-13-21)16(14-19-26(4,23)24)15-8-6-5-7-9-15/h15-16,19H,5-14H2,1-4H3.
What are the key properties of tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate has a molecular weight of 389.56 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 58780616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).