N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

C19H22N4O3S — CID 91912189

IUPACN-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C19H22N4O3S/c1-13-11-21-18(12-20-13)19(24)22-14-9-15-7-8-16(10-14)23(15)27(25,26)17-5-3-2-4-6-17/h2-6,11-12,14-16H,7-10H2,1H3,(H,22,24)/t14?,15-,16+
InChIKeyAIZAPIZZIYEJOP-MQVJKMGUSA-N
MW386.48 g/mol
LogP1.90
Rot. Bonds4

About N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 91912189) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID91912189
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C19H22N4O3S/c1-13-11-21-18(12-20-13)19(24)22-14-9-15-7-8-16(10-14)23(15)27(25,26)17-5-3-2-4-6-17/h2-6,11-12,14-16H,7-10H2,1H3,(H,22,24)/t14?,15-,16+
InChIKeyAIZAPIZZIYEJOP-MQVJKMGUSA-N
XLogP1.90
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (CID 91912189) is N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is AIZAPIZZIYEJOP-MQVJKMGUSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-11-21-18(12-20-13)19(24)22-14-9-15-7-8-16(10-14)23(15)27(25,26)17-5-3-2-4-6-17/h2-6,11-12,14-16H,7-10H2,1H3,(H,22,24)/t14?,15-,16+.
What are the key properties of N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 91912189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).