N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

C17H22N6O3S — CID 644409

IUPACN-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C17H22N6O3S/c24-17(18-10-13-3-4-13)14-2-1-9-22(11-14)27(25,26)16-7-5-15(6-8-16)23-12-19-20-21-23/h5-8,12-14H,1-4,9-11H2,(H,18,24)
InChIKeyIADREMAZADILQV-UHFFFAOYSA-N
MW390.47 g/mol
LogP0.59
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 644409) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID644409
Molecular FormulaC17H22N6O3S
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC NameN-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C17H22N6O3S/c24-17(18-10-13-3-4-13)14-2-1-9-22(11-14)27(25,26)16-7-5-15(6-8-16)23-12-19-20-21-23/h5-8,12-14H,1-4,9-11H2,(H,18,24)
InChIKeyIADREMAZADILQV-UHFFFAOYSA-N
XLogP0.59
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (CID 644409) is N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is IADREMAZADILQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c24-17(18-10-13-3-4-13)14-2-1-9-22(11-14)27(25,26)16-7-5-15(6-8-16)23-12-19-20-21-23/h5-8,12-14H,1-4,9-11H2,(H,18,24).
What are the key properties of N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 644409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).