tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate

C14H25NO4S — CID 86660374

IUPACtert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C14H25NO4S/c1-14(2,3)19-13(16)15-8-6-12(7-9-15)20(17,18)10-11-4-5-11/h11-12H,4-10H2,1-3H3
InChIKeyMNXBCIXTUVBYDG-UHFFFAOYSA-N
MW303.42 g/mol
LogP2.21
Rot. Bonds3

About tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate

tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate (PubChem CID 86660374) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate
PubChem CID86660374
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Nametert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C14H25NO4S/c1-14(2,3)19-13(16)15-8-6-12(7-9-15)20(17,18)10-11-4-5-11/h11-12H,4-10H2,1-3H3
InChIKeyMNXBCIXTUVBYDG-UHFFFAOYSA-N
XLogP2.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxylate
CID 59560785
tert-butyl 4-[ethyl(methyl)sulfamoyl]piperidine-1-carboxylate
CID 171633938
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate
CID 86326135
tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl (3S)-3-(methylsulfonimidoyl)pyrrolidine-1-carboxylate
CID 125499804
tert-butyl 4-[[4-(hydroxymethyl)cyclohexyl]methoxy]piperidine-1-carboxylate
CID 176864103
tert-butyl 4-(methylsulfanylmethyl)piperidine-1-carboxylate
CID 21087276
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
CID 53302291

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate (CID 86660374) is tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(S(=O)(=O)CC2CC2)CC1.
What is the InChIKey of tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate?
The InChIKey is MNXBCIXTUVBYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-14(2,3)19-13(16)15-8-6-12(7-9-15)20(17,18)10-11-4-5-11/h11-12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate?
tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate has a molecular weight of 303.42 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclopropylmethylsulfonyl)piperidine-1-carboxylate is sourced from PubChem (CID 86660374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).