4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide

C16H31N3O3S — CID 20630937

IUPAC4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H31N3O3S/c1-16(2,3)23(21,22)18-14-9-11-19(12-10-14)15(20)17-13-7-5-4-6-8-13/h13-14,18H,4-12H2,1-3H3,(H,17,20)
InChIKeyNYMSBIBLLXSAMX-UHFFFAOYSA-N
MW345.51 g/mol
LogP2.21
Rot. Bonds3

About 4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 20630937) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide
PubChem CID20630937
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC Name4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H31N3O3S/c1-16(2,3)23(21,22)18-14-9-11-19(12-10-14)15(20)17-13-7-5-4-6-8-13/h13-14,18H,4-12H2,1-3H3,(H,17,20)
InChIKeyNYMSBIBLLXSAMX-UHFFFAOYSA-N
XLogP2.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide (CID 20630937) is 4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is NYMSBIBLLXSAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-16(2,3)23(21,22)18-14-9-11-19(12-10-14)15(20)17-13-7-5-4-6-8-13/h13-14,18H,4-12H2,1-3H3,(H,17,20).
What are the key properties of 4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 20630937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).