tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate

C23H30N2O4S — CID 23641351

IUPACtert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C23H30N2O4S/c1-23(2,3)29-22(26)24-15-13-19(14-16-24)25(18-11-12-18)30(27,28)21-10-6-8-17-7-4-5-9-20(17)21/h4-10,18-19H,11-16H2,1-3H3
InChIKeyBPHJUVAFBNNTKC-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.39
Rot. Bonds4

About tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate

tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate (PubChem CID 23641351) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate
PubChem CID23641351
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Nametert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C23H30N2O4S/c1-23(2,3)29-22(26)24-15-13-19(14-16-24)25(18-11-12-18)30(27,28)21-10-6-8-17-7-4-5-9-20(17)21/h4-10,18-19H,11-16H2,1-3H3
InChIKeyBPHJUVAFBNNTKC-UHFFFAOYSA-N
XLogP4.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[methyl(naphthalen-1-ylsulfonyl)amino]acetate
CID 3787664
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tert-butyl 4-[(2,6-dichlorophenyl)methylsulfonyl-methylamino]piperidine-1-carboxylate
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CID 21338815
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate
CID 141001592
tert-butyl 4-[(3-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indazol-5-yl)carbamoyl]piperidine-1-carboxylate
CID 143426590
tert-butyl 4-[isoquinolin-1-ylmethyl(2-methylpropyl)amino]piperidine-1-carboxylate
CID 68575022
tert-butyl 4-(benzenesulfonyloxymethyl)piperidine-1-carboxylate
CID 22243788
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate (CID 23641351) is tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate?
The InChIKey is BPHJUVAFBNNTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-23(2,3)29-22(26)24-15-13-19(14-16-24)25(18-11-12-18)30(27,28)21-10-6-8-17-7-4-5-9-20(17)21/h4-10,18-19H,11-16H2,1-3H3.
What are the key properties of tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate has a molecular weight of 430.57 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropyl(naphthalen-1-ylsulfonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 23641351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).